35007 lines
885 KiB
Plaintext
35007 lines
885 KiB
Plaintext
/*
|
|
EXTENDED THIRD MILLENNIUM IDEAL GAS AND CONDENSED PHASE THERMOCHEMICAL DATABASE
|
|
FOR COMBUSTION WITH UPDATES FROM ACTIVE THERMOCHEMICAL TABLES
|
|
Authors: Elke Goos, Alexander Burcat and Branko Ruscic.
|
|
|
|
It is strictly forbidden to include this database as is or parts of it in any
|
|
commercial software firmware or hardware without permission from the authors.
|
|
Contact: Elke.Goos@dlr.de
|
|
|
|
*WARNING***The original 7-coeficient polynomials can accept molecules
|
|
containing only four different elements. The new CHEMKIN program was changed to
|
|
accept polynomials with 5 different elements. See the CHEMKIN manual.
|
|
Where the fifth element exist, the new Chemkin convention was folowed.
|
|
|
|
This file was generated from therm.dat provided in this directory.
|
|
Specie names have been transposed into a form supported by the OpenFOAM parser:
|
|
|
|
1. Names starting with characters "[1-9]|*|(" are prepended with "-s".
|
|
2. The character "'" has been replaced with "p".
|
|
3. The character "/" has been replaced with "by".
|
|
4. All tabs removed.
|
|
5. All Parts of the species names are concatenated with spaces replaced by "_".
|
|
6. "REF.ELEM.*" has been removed.
|
|
7. Spurious trailing ')' have a matching '(' added.
|
|
*/
|
|
|
|
PF5
|
|
{
|
|
specie
|
|
{
|
|
molWeight 125.966;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 13.0973 0.00300248 -1.18274e-06 2.02667e-10 -1.26362e-14 -196320 -40.8329 );
|
|
lowCpCoeffs ( -0.0836627 0.0523575 -7.35547e-05 4.90087e-08 -1.26207e-11 -193372 23.9324 );
|
|
}
|
|
}
|
|
T-C3H5_CH3C*=CH2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 41.0733;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.11018 0.0146734 -5.36768e-06 8.69049e-10 -5.1932e-14 25532.4 -8.35557 );
|
|
lowCpCoeffs ( 2.5544 0.0109868 3.01743e-05 -4.72536e-08 1.97711e-11 27150.2 13.2076 );
|
|
}
|
|
}
|
|
C3H8S_PropanThiol
|
|
{
|
|
specie
|
|
{
|
|
molWeight 76.1612;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.41486 0.0212013 -7.60843e-06 1.22413e-09 -7.30427e-14 -12030.1 -14.511 );
|
|
lowCpCoeffs ( 6.16937 0.000965265 7.34729e-05 -9.49322e-08 3.74835e-11 -10165.9 3.35869 );
|
|
}
|
|
}
|
|
MgS(cr)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 56.376;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 500;
|
|
Thigh 2500;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 257.556 -0.602933 0.000519857 -1.92765e-07 2.61435e-11 -126832 -1359.6 );
|
|
lowCpCoeffs ( 514.918 -3.62647 0.00887147 -9.07136e-06 3.31931e-09 -95278.2 -2153.42 );
|
|
}
|
|
}
|
|
Fe(d)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 55.847;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 1665;
|
|
Thigh 1809;
|
|
Tcommon 1665;
|
|
highCpCoeffs ( -435.752 0.768222 -0.000446743 8.66768e-08 0 187860 2449.72 );
|
|
lowCpCoeffs 7 { 0 };
|
|
}
|
|
}
|
|
Bi(S)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 208.98;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 544.52;
|
|
Tcommon 544.15;
|
|
highCpCoeffs ( 0 0 0 0 5.2e-08 0 0 );
|
|
lowCpCoeffs ( -2.72533 0.0566027 -0.000206587 3.3155e-07 -1.90688e-10 -443.272 12.1009 );
|
|
}
|
|
}
|
|
C2H2_Vinylidene
|
|
{
|
|
specie
|
|
{
|
|
molWeight 26.0382;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.27807 0.00475623 -1.63007e-06 2.54623e-10 -1.4886e-14 48014 0.639979 );
|
|
lowCpCoeffs ( 3.28155 0.00697643 -2.38528e-06 -1.21078e-09 9.82042e-13 48319.2 5.92036 );
|
|
}
|
|
}
|
|
Pb-
|
|
{
|
|
specie
|
|
{
|
|
molWeight 207.191;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.5 0 0 0 0 17762.3 8.23513 );
|
|
lowCpCoeffs ( 2.5 0 0 0 0 17762.3 8.23513 );
|
|
}
|
|
}
|
|
GeCl4
|
|
{
|
|
specie
|
|
{
|
|
molWeight 214.402;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.4258 0.000606654 -2.42013e-07 4.18148e-11 -2.62206e-15 -64052.5 -29.3923 );
|
|
lowCpCoeffs ( 4.88843 0.0418964 -8.77844e-05 8.28593e-08 -2.90301e-11 -62878.1 4.80674 );
|
|
}
|
|
}
|
|
C7H15_n-heptyl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 99.1976;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 16.2822 0.0405173 -1.47865e-05 2.41765e-09 -1.45777e-13 -7704.63 -54.2048 );
|
|
lowCpCoeffs ( 10.2805 0.000701557 0.000159552 -2.09594e-07 8.33449e-11 -3603.09 -10.3021 );
|
|
}
|
|
}
|
|
C17H33O2_C16-Rad
|
|
{
|
|
specie
|
|
{
|
|
molWeight 269.451;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 88.9755 0.0199146 -1.92928e-06 -2.92275e-10 5.04375e-14 -98684.2 -431.371 );
|
|
lowCpCoeffs ( 0.225634 0.197014 -0.000119744 3.73745e-08 -8.02489e-12 -67014.3 52.9624 );
|
|
}
|
|
}
|
|
C4H9O_T_butoxy_r
|
|
{
|
|
specie
|
|
{
|
|
molWeight 73.1157;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.7372 0.0233707 -8.50517e-06 1.3852e-09 -8.34398e-14 -16694 -45.3156 );
|
|
lowCpCoeffs ( 2.77057 0.0268033 4.12718e-05 -7.22055e-08 3.02642e-11 -12707.9 12.1533 );
|
|
}
|
|
}
|
|
C2H2O4_Oxalic_ac
|
|
{
|
|
specie
|
|
{
|
|
molWeight 90.0358;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 11.2723 0.00920913 -3.36003e-06 5.44513e-10 -3.26157e-14 -91184.3 -29.84 );
|
|
lowCpCoeffs ( 1.32062 0.0415622 -4.46406e-05 2.51282e-08 -5.73719e-12 -88654 20.4222 );
|
|
}
|
|
}
|
|
Fe2O3(S)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 159.692;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 1800;
|
|
Thigh 6000;
|
|
Tcommon 1800;
|
|
highCpCoeffs ( 17.1144 0 0 0 0 -104157 -87.7954 );
|
|
lowCpCoeffs 7 { 0 };
|
|
}
|
|
}
|
|
s-*CH2NH2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 30.0497;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.5533 0.00942003 -3.20781e-06 4.98962e-10 -2.90872e-14 15871.7 -0.0245945 );
|
|
lowCpCoeffs ( 2.85538 0.00727364 1.65713e-05 -2.70977e-08 1.16328e-11 16616.6 10.2445 );
|
|
}
|
|
}
|
|
C7H7+__C6H5CH2*+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 91.1333;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 13.3135 0.023354 -8.41216e-06 1.36117e-09 -8.16377e-14 103918 -49.4189 );
|
|
lowCpCoeffs ( -4.34522 0.063914 -2.83975e-05 -1.23159e-08 1.06794e-11 109226 43.8643 );
|
|
}
|
|
}
|
|
S(L)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 320.64;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 388.36;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.39062 0.000711825 -3.90878e-07 8.73275e-11 -6.87552e-15 -633.584 -14.7883 );
|
|
lowCpCoeffs ( -38.4499 0.257074 -0.000555554 5.13258e-07 -1.72537e-10 4293.36 167.53 );
|
|
}
|
|
}
|
|
C5H4__1,2,4-cycl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 64.0876;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 9.85548 0.0134206 -4.81415e-06 7.76811e-10 -4.65e-14 61479.4 -28.7183 );
|
|
lowCpCoeffs ( 1.15996 0.0195527 3.69398e-05 -7.00136e-08 3.15534e-11 64568.5 20.0359 );
|
|
}
|
|
}
|
|
PF2-
|
|
{
|
|
specie
|
|
{
|
|
molWeight 68.9711;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.19718 0.000832488 -3.28388e-07 5.63192e-11 -3.51347e-15 -87385 -5.17223 );
|
|
lowCpCoeffs ( 2.11806 0.0169227 -2.56267e-05 1.86409e-08 -5.30079e-12 -86504.8 14.6938 );
|
|
}
|
|
}
|
|
Br_Bromine_atom
|
|
{
|
|
specie
|
|
{
|
|
molWeight 79.9009;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.08902 0.000711612 -2.69887e-07 4.15012e-11 -2.3138e-15 12855.6 9.07043 );
|
|
lowCpCoeffs ( 2.48422 0.000161406 -5.63461e-07 7.46724e-10 -2.58956e-13 12708.4 6.86657 );
|
|
}
|
|
}
|
|
C6H3Cl3O_linear
|
|
{
|
|
specie
|
|
{
|
|
molWeight 197.449;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 3000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.44234 0.0541042 -2.06268e-05 3.49123e-09 -2.24395e-13 -7072.8 2.2 );
|
|
lowCpCoeffs ( 5.9052 0.0506644 -1.50613e-05 2.45539e-09 -9.38609e-13 -6269.1 7.09137 );
|
|
}
|
|
}
|
|
C4H5+_CH3CC=CH2*+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 53.0839;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 7.4813 0.0148762 -5.28012e-06 8.45295e-10 -5.03002e-14 126870 -12.4329 );
|
|
lowCpCoeffs ( 4.55614 0.0139573 1.35058e-05 -2.35023e-08 9.35546e-12 128198 5.06387 );
|
|
}
|
|
}
|
|
C4H9O_i-butoxy_r
|
|
{
|
|
specie
|
|
{
|
|
molWeight 73.1157;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 11.631 0.0247982 -9.01551e-06 1.46715e-09 -8.83215e-14 -13785.5 -38.1956 );
|
|
lowCpCoeffs ( 3.80297 0.0156874 6.81105e-05 -9.83347e-08 3.95262e-11 -10083.2 9.78963 );
|
|
}
|
|
}
|
|
C10H18_Bicypentyl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 138.255;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 19.7984 0.0553782 -2.00955e-05 3.26492e-09 -1.96288e-13 -27011.5 -84.8036 );
|
|
lowCpCoeffs ( 7.79911 -0.0208425 0.000316306 -4.08028e-07 1.62915e-10 -18834.8 2.42448 );
|
|
}
|
|
}
|
|
CDO
|
|
{
|
|
specie
|
|
{
|
|
molWeight 30.0247;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.9405 0.00305763 -9.52037e-07 1.6015e-10 -1.09619e-14 3476.57 3.86075 );
|
|
lowCpCoeffs ( 3.95152 -0.000948108 1.00805e-05 -1.02323e-08 3.34362e-12 3718.09 4.89959 );
|
|
}
|
|
}
|
|
P-CHLOROPHENYL
|
|
{
|
|
specie
|
|
{
|
|
molWeight 111.552;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 14.4772 0.0151914 -5.5922e-06 9.20192e-10 -5.57429e-14 29679.8 -50.194 );
|
|
lowCpCoeffs ( 0.0413121 0.0442724 -2.32486e-06 -3.87395e-08 2.16915e-11 34051.5 26.5942 );
|
|
}
|
|
}
|
|
Ni3S4(cr)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 304.386;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 1100;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 14.673 0.0172756 0 0 0 -41359 -66.325 );
|
|
lowCpCoeffs ( 14.6719 0.0172655 3.17124e-08 -3.16463e-11 1.12196e-14 -41357.7 -66.3153 );
|
|
}
|
|
}
|
|
C2HBr2_Radical
|
|
{
|
|
specie
|
|
{
|
|
molWeight 184.832;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.72859 0.00386564 -1.40557e-06 2.28856e-10 -1.37851e-14 37053.7 -12.242 );
|
|
lowCpCoeffs ( 3.90735 0.0201719 -2.29186e-05 1.32196e-08 -2.97657e-12 38237.7 11.9226 );
|
|
}
|
|
}
|
|
NOO-___anion
|
|
{
|
|
specie
|
|
{
|
|
molWeight 46.006;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.56704 0.00144732 -5.62129e-07 9.54584e-11 -5.91539e-15 16603.2 -3.06693 );
|
|
lowCpCoeffs ( 2.71429 0.0100852 -1.04703e-05 5.19363e-09 -9.81064e-13 17360.2 11.4997 );
|
|
}
|
|
}
|
|
C10H21,n-decyl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 141.279;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 23.376 0.0575362 -2.10968e-05 3.4631e-09 -2.09434e-13 -18765.9 -86.8826 );
|
|
lowCpCoeffs ( 14.8511 -0.00385331 0.000243711 -3.17548e-07 1.25908e-10 -12786.2 -23.5345 );
|
|
}
|
|
}
|
|
H2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 2.01594;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.93287 0.000826608 -1.46402e-07 1.541e-11 -6.88805e-16 -813.066 -1.02433 );
|
|
lowCpCoeffs ( 2.34433 0.00798052 -1.94782e-05 2.01572e-08 -7.37612e-12 -917.935 0.68301 );
|
|
}
|
|
}
|
|
F2O-__FOF-
|
|
{
|
|
specie
|
|
{
|
|
molWeight 53.9967;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.77242 0.000239951 -9.56334e-08 1.65135e-11 -1.03511e-15 -26218.2 -6.24288 );
|
|
lowCpCoeffs ( 4.64786 0.0100535 -1.79176e-05 1.47983e-08 -4.6499e-12 -25825.4 3.76539 );
|
|
}
|
|
}
|
|
CCl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 47.4642;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.17004 0.000381512 -1.3155e-07 2.76233e-11 -2.22142e-15 50689 2.94941 );
|
|
lowCpCoeffs ( 3.76699 -0.00149298 9.61147e-06 -1.27138e-08 5.2737e-12 50911.8 5.66471 );
|
|
}
|
|
}
|
|
AlCl+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 62.434;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.75029 -0.000593935 3.93094e-07 -6.69689e-11 3.55483e-15 102152 0.767305 );
|
|
lowCpCoeffs ( 2.85348 0.00676353 -1.15905e-05 9.33937e-09 -2.87983e-12 102590 10.0897 );
|
|
}
|
|
}
|
|
C20H36O2_EtLinolea
|
|
{
|
|
specie
|
|
{
|
|
molWeight 308.509;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 46.2349 0.108397 -4.14334e-05 7.2492e-09 -4.77627e-13 -85982.2 -194.155 );
|
|
lowCpCoeffs ( -1.31454 0.212235 -8.58818e-05 -3.39348e-08 2.87278e-11 -71080.7 58.9753 );
|
|
}
|
|
}
|
|
Cl2O__Cl-O-Cl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 86.9054;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.4624 0.000561884 -2.22715e-07 3.8317e-11 -2.39566e-15 7381.39 -5.08724 );
|
|
lowCpCoeffs ( 2.51987 0.0181635 -3.15603e-05 2.5833e-08 -8.11856e-12 8143.54 13.6448 );
|
|
}
|
|
}
|
|
C6H8O_3,4DiMeFuran
|
|
{
|
|
specie
|
|
{
|
|
molWeight 96.1301;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 13.6695 0.0250929 -8.99158e-06 1.44934e-09 -8.66776e-14 -18762.2 -48.7568 );
|
|
lowCpCoeffs ( 2.41515 0.0320931 4.3306e-05 -8.36935e-08 3.70127e-11 -14574.6 14.9425 );
|
|
}
|
|
}
|
|
NH4ClO4(II)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 117.489;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 513.15;
|
|
Thigh 1500;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 155.208 -0.185584 7.0288e-05 0 0 -110827 -851.152 );
|
|
lowCpCoeffs ( 2576.78 -17.9848 0.0436807 -4.44268e-05 1.61939e-08 -301718 -10824.4 );
|
|
}
|
|
}
|
|
C5H12O_3-Pentanol
|
|
{
|
|
specie
|
|
{
|
|
molWeight 88.1508;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.6092 0.0326208 -1.16271e-05 1.86448e-09 -1.11025e-13 -44560.8 -38.4261 );
|
|
lowCpCoeffs ( 6.11574 0.0159037 8.52787e-05 -1.20946e-07 4.90045e-11 -41131.1 3.35113 );
|
|
}
|
|
}
|
|
C14H12_t-Stilbene
|
|
{
|
|
specie
|
|
{
|
|
molWeight 180.252;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 27.6376 0.0424921 -1.55592e-05 2.54399e-09 -1.53646e-13 13660.7 -122.904 );
|
|
lowCpCoeffs ( -0.374515 0.0765061 6.07337e-05 -1.49456e-07 6.95517e-11 23293.8 31.6766 );
|
|
}
|
|
}
|
|
K(L)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 39.102;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 336.86;
|
|
Thigh 2200;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.64955 -0.00279174 1.80836e-06 3.41245e-11 -4.48782e-15 -1014.68 -17.1767 );
|
|
lowCpCoeffs ( 4.22911 -0.000706886 -2.12966e-06 3.36227e-09 -1.05903e-12 -945.118 -15.234 );
|
|
}
|
|
}
|
|
C3H7NO2_Nitropro
|
|
{
|
|
specie
|
|
{
|
|
molWeight 89.0947;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.5914 0.02146 -8.04392e-06 1.32785e-09 -8.05432e-14 -21426.4 -37.7098 );
|
|
lowCpCoeffs ( 2.69121 0.0287281 3.1182e-05 -6.31529e-08 2.78064e-11 -17692.8 18.3188 );
|
|
}
|
|
}
|
|
C3H6S__THIETHANE
|
|
{
|
|
specie
|
|
{
|
|
molWeight 74.1453;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 7.06948 0.0205302 -7.76218e-06 1.28978e-09 -7.85712e-14 3916.43 -14.3261 );
|
|
lowCpCoeffs ( 2.75359 0.00534069 7.31893e-05 -1.02496e-07 4.22613e-11 6321.76 14.211 );
|
|
}
|
|
}
|
|
CH3NH-_radical_a
|
|
{
|
|
specie
|
|
{
|
|
molWeight 30.0503;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.01182 0.0109474 -3.99801e-06 6.52419e-10 -3.93451e-14 13327.7 1.25604 );
|
|
lowCpCoeffs ( 3.6405 -0.0017248 3.46643e-05 -3.83506e-08 1.33449e-11 14221.5 6.81698 );
|
|
}
|
|
}
|
|
C9H7_INDENYL_RAD
|
|
{
|
|
specie
|
|
{
|
|
molWeight 115.156;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 18.555 0.0250351 -9.14574e-06 1.49348e-09 -9.01328e-14 25721.1 -76.3005 );
|
|
lowCpCoeffs ( -2.66986 0.0621771 1.50674e-05 -7.96462e-08 4.09192e-11 32387 37.8611 );
|
|
}
|
|
}
|
|
PbBr4
|
|
{
|
|
specie
|
|
{
|
|
molWeight 526.794;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.8293 0.000181407 -7.26097e-08 1.25733e-11 -7.89625e-16 -25808.7 -21.7939 );
|
|
lowCpCoeffs ( 9.79364 0.0182326 -4.05892e-05 3.9858e-08 -1.43451e-11 -25385.6 -8.31285 );
|
|
}
|
|
}
|
|
C3N2O__NCO-CO-CN
|
|
{
|
|
specie
|
|
{
|
|
molWeight 80.0463;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 10.2505 0.00552056 -2.08011e-06 3.4645e-10 -2.11883e-14 26062.9 -23.6322 );
|
|
lowCpCoeffs ( 2.90256 0.0360775 -5.74096e-05 4.90465e-08 -1.66007e-11 27716.4 12.1452 );
|
|
}
|
|
}
|
|
C6H14O_1-hexanol
|
|
{
|
|
specie
|
|
{
|
|
molWeight 102.178;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 13.7864 0.0408042 -1.45869e-05 2.34714e-09 -1.40187e-13 -45623.9 -49.285 );
|
|
lowCpCoeffs ( 6.49555 0.00572279 0.000146632 -1.93096e-07 7.64563e-11 -40990.5 1.54923 );
|
|
}
|
|
}
|
|
C17H31O2_Palmitole
|
|
{
|
|
specie
|
|
{
|
|
molWeight 267.435;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 40.5284 0.0942779 -3.4267e-05 5.5685e-09 -3.34719e-13 -66810.6 -180.351 );
|
|
lowCpCoeffs ( 17.0419 0.025696 0.000337808 -4.57062e-07 1.82289e-10 -53925.3 -27.014 );
|
|
}
|
|
}
|
|
C2H5NO3_EtNitrate
|
|
{
|
|
specie
|
|
{
|
|
molWeight 91.067;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.1644 0.0169577 -6.41389e-06 1.06795e-09 -6.52241e-14 -24202.1 -37.7102 );
|
|
lowCpCoeffs ( 3.65329 0.0199454 3.75083e-05 -6.52184e-08 2.78224e-11 -20831.5 11.257 );
|
|
}
|
|
}
|
|
Bi2O3_O=Bi-O-Bi=O
|
|
{
|
|
specie
|
|
{
|
|
molWeight 465.958;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.2808 0.000757266 -3.01474e-07 5.20176e-11 -3.25877e-15 72701.9 -25.6584 );
|
|
lowCpCoeffs ( 4.28948 0.0425248 -8.58112e-05 7.89623e-08 -2.71801e-11 74020.4 11.0216 );
|
|
}
|
|
}
|
|
C4H6O2_MeAcrylat
|
|
{
|
|
specie
|
|
{
|
|
molWeight 86.0912;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 11.5358 0.0189931 -6.93407e-06 1.12352e-09 -6.72767e-14 -14182.5 -30.182 );
|
|
lowCpCoeffs ( 5.96486 0.0107555 5.4633e-05 -7.82888e-08 3.15865e-11 -11492.8 4.3118 );
|
|
}
|
|
}
|
|
C8H9+_1,3MeC6H4CH2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 105.16;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 14.6945 0.0294601 -1.05488e-05 1.69964e-09 -1.0162e-13 97554.7 -53.8415 );
|
|
lowCpCoeffs ( -1.75449 0.0639508 -2.04245e-05 -1.9067e-08 1.24989e-11 102722 34.0031 );
|
|
}
|
|
}
|
|
C2H2I2_trans
|
|
{
|
|
specie
|
|
{
|
|
molWeight 279.847;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.84243 0.00628409 -2.23947e-06 3.597e-10 -2.14602e-14 21655.8 -13.2795 );
|
|
lowCpCoeffs ( 4.26603 0.0165013 -4.40885e-06 -8.74342e-09 5.61021e-12 22996.2 10.8272 );
|
|
}
|
|
}
|
|
C60
|
|
{
|
|
specie
|
|
{
|
|
molWeight 720.669;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 99.8434 0.0788576 -3.06088e-05 5.19577e-09 -3.21884e-13 266705 -545.875 );
|
|
lowCpCoeffs ( -33.5791 0.428444 -0.000317123 4.75463e-08 2.76777e-11 304651 148.329 );
|
|
}
|
|
}
|
|
HCl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 36.461;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.75758 0.00145387 -4.79647e-07 7.77909e-11 -4.79574e-15 -11913.8 6.52197 );
|
|
lowCpCoeffs ( 3.46376 0.000476484 -2.00301e-06 3.31714e-09 -1.44958e-12 -12144.4 2.66428 );
|
|
}
|
|
}
|
|
C10H21_3by4-decyl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 141.279;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 24.4433 0.0556583 -2.07687e-05 3.63848e-09 -2.42491e-13 -19476.6 -93.1426 );
|
|
lowCpCoeffs ( 6.86952 0.0557426 8.72154e-05 -1.51903e-07 6.4618e-11 -12026.4 9.80864 );
|
|
}
|
|
}
|
|
CH2F
|
|
{
|
|
specie
|
|
{
|
|
molWeight 33.0255;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.11284 0.00500104 -1.74096e-06 2.75008e-10 -1.621e-14 -5462.98 2.38853 );
|
|
lowCpCoeffs ( 3.78124 -0.00044984 1.88358e-05 -2.40703e-08 9.53478e-12 -5088.74 5.56895 );
|
|
}
|
|
}
|
|
HNOH_cis__ATcT_C
|
|
{
|
|
specie
|
|
{
|
|
molWeight 32.022;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.11665 0.00481707 -1.63508e-06 2.53798e-10 -1.47745e-14 12502.1 3.12195 );
|
|
lowCpCoeffs ( 3.80984 0.000435966 1.51572e-05 -1.96181e-08 7.75279e-12 12816.5 5.90836 );
|
|
}
|
|
}
|
|
NH2CH2C(O)OH
|
|
{
|
|
specie
|
|
{
|
|
molWeight 75.0677;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 10.4281 0.0141735 -4.97242e-06 7.86326e-10 -4.63337e-14 -51574.5 -21.9428 );
|
|
lowCpCoeffs ( 2.15851 0.029522 2.14979e-06 -2.87489e-08 1.52878e-11 -49036.3 22.2831 );
|
|
}
|
|
}
|
|
HNO2_equil__ATcT
|
|
{
|
|
specie
|
|
{
|
|
molWeight 47.0135;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.79183 0.00365163 -1.29293e-06 2.06893e-10 -1.23155e-14 -11595.4 -4.05539 );
|
|
lowCpCoeffs ( 3.21416 0.00812778 1.65999e-06 -9.52815e-09 4.87131e-12 -10783.1 9.822 );
|
|
}
|
|
}
|
|
FeCl3(L)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 162.206;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 577;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 16.1029 3.43636e-11 -1.87252e-14 3.81236e-18 -2.64489e-22 -48492 -67.1135 );
|
|
lowCpCoeffs ( 16.1029 0 0 0 0 -48492 -67.1135 );
|
|
}
|
|
}
|
|
C3H2Br2__1,3_Dib
|
|
{
|
|
specie
|
|
{
|
|
molWeight 197.851;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 10.6977 0.00738187 -2.65309e-06 4.2861e-10 -2.56763e-14 26083.7 -23.2167 );
|
|
lowCpCoeffs ( 2.81963 0.0336505 -3.62801e-05 1.96203e-08 -3.98079e-12 28029.6 16.3399 );
|
|
}
|
|
}
|
|
C4H8N8O8_HMX
|
|
{
|
|
specie
|
|
{
|
|
molWeight 296.157;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 34.4746 0.0464516 -1.79061e-05 2.98652e-09 -1.81854e-13 7272.51 -148.183 );
|
|
lowCpCoeffs ( 8.14013 0.0833154 2.72628e-05 -9.98161e-08 4.69226e-11 16398.6 -3.22779 );
|
|
}
|
|
}
|
|
SnCl4
|
|
{
|
|
specie
|
|
{
|
|
molWeight 260.502;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.5468 0.000479645 -1.91534e-07 3.31149e-11 -2.07746e-15 -61434.7 -28.0448 );
|
|
lowCpCoeffs ( 6.07626 0.0367564 -7.83942e-05 7.48719e-08 -2.64443e-11 -60456.2 1.14106 );
|
|
}
|
|
}
|
|
C6H11_2M-1ENE-5YL
|
|
{
|
|
specie
|
|
{
|
|
molWeight 83.1546;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 14.3321 0.0291259 -1.08652e-05 1.9029e-09 -1.26811e-13 11021.7 -46.2685 );
|
|
lowCpCoeffs ( 2.87924 0.0406133 2.41279e-05 -6.11872e-08 2.78374e-11 15246.2 17.9 );
|
|
}
|
|
}
|
|
C5H2Cl3_VinAllenyl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 168.431;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 18.0491 0.0089865 -3.45735e-06 5.82189e-10 -3.58329e-14 48686.5 -57.6752 );
|
|
lowCpCoeffs ( 1.80194 0.0715385 -0.000102933 7.65274e-08 -2.28106e-11 52384.7 22.1203 );
|
|
}
|
|
}
|
|
PS
|
|
{
|
|
specie
|
|
{
|
|
molWeight 63.0378;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.27308 0.000363867 -1.81261e-07 4.09757e-11 -2.62111e-15 17918.4 3.66384 );
|
|
lowCpCoeffs ( 3.4687 0.00449701 -8.42505e-06 7.47111e-09 -2.51772e-12 18049.7 7.36114 );
|
|
}
|
|
}
|
|
BCl3
|
|
{
|
|
specie
|
|
{
|
|
molWeight 117.17;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.73622 0.00130785 -5.1536e-07 8.8332e-11 -5.50852e-15 -51584.5 -15.984 );
|
|
lowCpCoeffs ( 2.717 0.0256361 -4.02411e-05 3.06761e-08 -9.17649e-12 -50300.2 13.2268 );
|
|
}
|
|
}
|
|
C2H4F2__HFC-152a
|
|
{
|
|
specie
|
|
{
|
|
molWeight 66.051;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 7.67996 0.0122243 -4.37574e-06 7.04756e-10 -4.21224e-14 -63647.1 -14.7344 );
|
|
lowCpCoeffs ( 3.25213 0.0118718 2.57924e-05 -4.29489e-08 1.82238e-11 -61838.8 11.1052 );
|
|
}
|
|
}
|
|
MgF
|
|
{
|
|
specie
|
|
{
|
|
molWeight 43.3104;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.1854 0.000422202 -1.6778e-07 3.57638e-11 -2.49417e-15 -29264.6 2.47211 );
|
|
lowCpCoeffs ( 2.84069 0.00531155 -6.76602e-06 3.82934e-09 -7.42476e-13 -28965.6 9.09129 );
|
|
}
|
|
}
|
|
BO-
|
|
{
|
|
specie
|
|
{
|
|
molWeight 26.8109;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.23328 0.00122997 -4.53708e-07 7.5409e-11 -4.60204e-15 -34468.2 4.92162 );
|
|
lowCpCoeffs ( 3.87993 -0.00318403 8.53657e-06 -7.37316e-09 2.22104e-12 -34487.6 2.30007 );
|
|
}
|
|
}
|
|
C15H30___1-penta
|
|
{
|
|
specie
|
|
{
|
|
molWeight 210.406;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 31.2532 0.0894559 -3.47072e-05 6.28152e-09 -4.30127e-13 -43628.9 -122.313 );
|
|
lowCpCoeffs ( 3.61611 0.130414 4.19702e-07 -8.22388e-08 3.96423e-11 -34064.2 29.5637 );
|
|
}
|
|
}
|
|
B2O3
|
|
{
|
|
specie
|
|
{
|
|
molWeight 69.6202;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.46916 0.00440163 -1.67059e-06 2.79569e-10 -1.71541e-14 -103566 -15.9934 );
|
|
lowCpCoeffs ( 2.34081 0.027897 -4.09187e-05 3.28878e-08 -1.07443e-11 -102109 14.2808 );
|
|
}
|
|
}
|
|
s-1-C10H7-C*=CH2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 153.206;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 24.5125 0.0326373 -1.18732e-05 1.93108e-09 -1.16216e-13 38332.8 -105.844 );
|
|
lowCpCoeffs ( -1.4337 0.0771544 1.83226e-05 -9.54787e-08 4.85269e-11 46579 34.0802 );
|
|
}
|
|
}
|
|
CS
|
|
{
|
|
specie
|
|
{
|
|
molWeight 44.0752;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.7696 0.000730981 -2.42921e-07 2.88071e-11 -5.21956e-17 32249.9 3.42023 );
|
|
lowCpCoeffs ( 3.73125 -0.00309804 1.24828e-05 -1.41633e-08 5.33371e-12 32442.1 4.54855 );
|
|
}
|
|
}
|
|
C5H11OH__1-penta
|
|
{
|
|
specie
|
|
{
|
|
molWeight 88.1508;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 10.8889 0.0345003 -1.24316e-05 2.0052e-09 -1.19825e-13 -41962 -26.6711 );
|
|
lowCpCoeffs ( 9.09522 -0.0166418 0.000166431 -2.01946e-07 7.7905e-11 -38835.2 -4.09264 );
|
|
}
|
|
}
|
|
H2NN+_Isodiazene+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 30.0288;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.34602 0.00573213 -2.01459e-06 3.20336e-10 -1.89704e-14 136248 5.93162 );
|
|
lowCpCoeffs ( 3.58647 -0.000608385 1.56024e-05 -1.73453e-08 6.12968e-12 136493 6.15404 );
|
|
}
|
|
}
|
|
C+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 12.0106;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.50828 -1.04354e-05 5.16161e-09 -1.14187e-12 9.4354e-17 216880 4.31886 );
|
|
lowCpCoeffs ( 2.61332 -0.000540148 1.03037e-06 -8.90093e-10 2.88501e-13 216862 3.83455 );
|
|
}
|
|
}
|
|
C10H10_2-meIndene
|
|
{
|
|
specie
|
|
{
|
|
molWeight 130.191;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 18.6541 0.0348864 -1.26167e-05 2.04646e-09 -1.22929e-13 11544.9 -77.6151 );
|
|
lowCpCoeffs ( 1.18876 0.0418832 8.16146e-05 -1.44936e-07 6.30964e-11 18203.1 22.1078 );
|
|
}
|
|
}
|
|
C7H16O_neo-C7H16O
|
|
{
|
|
specie
|
|
{
|
|
molWeight 116.205;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 21.5862 0.0445596 -1.58842e-05 2.54779e-09 -1.51753e-13 -53392.5 -80.35 );
|
|
lowCpCoeffs ( 9.59318 0.0456889 5.4832e-05 -9.96686e-08 4.22123e-11 -48454.8 -10.5112 );
|
|
}
|
|
}
|
|
C6H5F+__Cation
|
|
{
|
|
specie
|
|
{
|
|
molWeight 96.1046;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.967 0.0188495 -6.81136e-06 1.10451e-09 -6.63434e-14 87759.1 -44.7045 );
|
|
lowCpCoeffs ( -2.67218 0.05784 -3.41712e-05 -6.60485e-10 5.70718e-12 92309.5 37.1613 );
|
|
}
|
|
}
|
|
N2H-
|
|
{
|
|
specie
|
|
{
|
|
molWeight 29.0219;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.30541 0.00158633 -5.88189e-07 9.69277e-11 -5.88439e-15 18606.6 -2.7911 );
|
|
lowCpCoeffs ( 3.80587 0.00875014 -1.48964e-05 1.32708e-08 -4.53576e-12 18906.2 4.29885 );
|
|
}
|
|
}
|
|
C6H10_1,3-Hexadien
|
|
{
|
|
specie
|
|
{
|
|
molWeight 82.1466;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.2036 0.0283719 -1.01536e-05 1.6276e-09 -9.68053e-14 992.055 -35.5142 );
|
|
lowCpCoeffs ( 4.33044 0.0250924 5.32462e-05 -8.82977e-08 3.75814e-11 4317.41 11.0071 );
|
|
}
|
|
}
|
|
C9H17_1-nonenyl-4
|
|
{
|
|
specie
|
|
{
|
|
molWeight 125.236;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 21.0868 0.0461783 -1.72507e-05 3.02355e-09 -2.01568e-13 32.7939 -75.8751 );
|
|
lowCpCoeffs ( 4.36832 0.0577776 4.89429e-05 -1.04596e-07 4.61874e-11 6514.05 19.1916 );
|
|
}
|
|
}
|
|
C10H7-CCH
|
|
{
|
|
specie
|
|
{
|
|
molWeight 152.198;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 23.4108 0.0312979 -1.13777e-05 1.85218e-09 -1.11547e-13 34919.7 -100.595 );
|
|
lowCpCoeffs ( -2.59169 0.0863306 -1.76591e-05 -5.26006e-08 3.15925e-11 42772.1 37.3575 );
|
|
}
|
|
}
|
|
C2H4O2_HG(O)OCH3
|
|
{
|
|
specie
|
|
{
|
|
molWeight 60.053;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.33361 0.0134851 -4.84306e-06 7.81719e-10 -4.67917e-14 -46131.3 -6.91543 );
|
|
lowCpCoeffs ( 5.96757 -0.00938085 7.07648e-05 -8.29932e-08 3.13523e-11 -44871 0.750341 );
|
|
}
|
|
}
|
|
B3O3Cl3
|
|
{
|
|
specie
|
|
{
|
|
molWeight 186.79;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 18.7159 0.00639373 -2.49375e-06 4.24586e-10 -2.63566e-14 -203702 -65.276 );
|
|
lowCpCoeffs ( 3.59422 0.0505755 -4.66182e-05 1.48922e-08 5.70497e-13 -199700 12.0898 );
|
|
}
|
|
}
|
|
C3Cl4_PerClAllene
|
|
{
|
|
specie
|
|
{
|
|
molWeight 177.845;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 15.0526 0.00393519 -1.51723e-06 2.565e-10 -1.58485e-14 11057.8 -43.4085 );
|
|
lowCpCoeffs ( 2.89989 0.0562603 -9.46435e-05 7.87159e-08 -2.55213e-11 13576.3 15.0009 );
|
|
}
|
|
}
|
|
Al2O3(L)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 101.961;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 2327;
|
|
Thigh 6000;
|
|
Tcommon 2327;
|
|
highCpCoeffs ( 19.5923 0 0 0 0 -202769 -110.862 );
|
|
lowCpCoeffs 7 { 0 };
|
|
}
|
|
}
|
|
C13H10__Fluorene
|
|
{
|
|
specie
|
|
{
|
|
molWeight 166.225;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 23.3962 0.0376272 -1.37117e-05 2.24352e-09 -1.35502e-13 9605.47 -104.754 );
|
|
lowCpCoeffs ( -1.0801 0.0581364 8.71415e-05 -1.7242e-07 7.76417e-11 18319.8 32.1626 );
|
|
}
|
|
}
|
|
C5H9N__Cy
|
|
{
|
|
specie
|
|
{
|
|
molWeight 83.1342;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 11.2368 0.0281358 -1.0083e-05 1.6254e-09 -9.72128e-14 26722.7 -39.3936 );
|
|
lowCpCoeffs ( 1.17139 0.0185246 9.02357e-05 -1.35939e-07 5.68248e-11 31160.7 21.2116 );
|
|
}
|
|
}
|
|
C6H4Cl2_p-Clbenzen
|
|
{
|
|
specie
|
|
{
|
|
molWeight 147.005;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 15.6102 0.0166825 -6.07673e-06 9.90708e-10 -5.97321e-14 -3957.82 -56.2355 );
|
|
lowCpCoeffs ( 1.28624 0.0435301 1.98097e-06 -4.1859e-08 2.22087e-11 515.228 20.5508 );
|
|
}
|
|
}
|
|
NITRO-BENZENE
|
|
{
|
|
specie
|
|
{
|
|
molWeight 123.112;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 17.1573 0.02106 -7.92286e-06 1.31642e-09 -8.03338e-14 422.628 -65.9269 );
|
|
lowCpCoeffs ( 0.322565 0.0478049 1.44052e-05 -6.09011e-08 2.98988e-11 6000.7 25.6985 );
|
|
}
|
|
}
|
|
C6H5OH,phenol
|
|
{
|
|
specie
|
|
{
|
|
molWeight 94.1141;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 14.1552 0.019935 -7.1822e-06 1.16229e-09 -6.97147e-14 -18128.7 -51.7985 );
|
|
lowCpCoeffs ( -0.290979 0.0408562 2.42829e-05 -7.14478e-08 3.46002e-11 -13413 26.8746 );
|
|
}
|
|
}
|
|
C3Br3_1,2,3_CyRad
|
|
{
|
|
specie
|
|
{
|
|
molWeight 275.736;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.8738 0.00314754 -1.22046e-06 2.07058e-10 -1.28236e-14 59227 -24.4086 );
|
|
lowCpCoeffs ( 3.78078 0.0406543 -6.59706e-05 5.392e-08 -1.73893e-11 61197.1 19.7122 );
|
|
}
|
|
}
|
|
s-*CH2NO2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 60.0326;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 7.57505 0.00701471 -2.51481e-06 4.05671e-10 -2.42797e-14 12388 -11.5986 );
|
|
lowCpCoeffs ( 2.42742 0.0160496 2.84728e-06 -1.82218e-08 9.35384e-12 14012.1 16.1086 );
|
|
}
|
|
}
|
|
C2Cl3F3_FC-113A
|
|
{
|
|
specie
|
|
{
|
|
molWeight 187.377;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 18.3386 0.00372752 -1.6555e-06 3.01427e-10 -1.9468e-14 -97862.9 -62.4387 );
|
|
lowCpCoeffs ( 2.5428 0.0608765 -8.62331e-05 6.07755e-08 -1.7269e-11 -94117.6 15.9691 );
|
|
}
|
|
}
|
|
C12H9Cl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 188.659;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 25.6099 0.0352922 -1.35561e-05 2.37468e-09 -1.55918e-13 5863.01 -110.395 );
|
|
lowCpCoeffs ( -7.28311 0.119774 -8.28143e-05 1.55856e-08 4.2704e-12 15413.1 61.4592 );
|
|
}
|
|
}
|
|
CH3-O-C(O)-NH2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 75.0677;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 10.1703 0.0143671 -5.02606e-06 7.97251e-10 -4.71522e-14 -53885.4 -26.6662 );
|
|
lowCpCoeffs ( 1.9831 0.0343814 -1.6458e-05 -5.14921e-09 5.50415e-12 -51518.4 16.1848 );
|
|
}
|
|
}
|
|
C18H31O2_Linoleate
|
|
{
|
|
specie
|
|
{
|
|
molWeight 279.447;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 41.0486 0.0965881 -3.5082e-05 5.70147e-09 -3.42799e-13 -52804.7 -181.028 );
|
|
lowCpCoeffs ( 19.0743 0.00569753 0.000404158 -5.32631e-07 2.11615e-10 -39606.7 -31.509 );
|
|
}
|
|
}
|
|
C6H8O_2,5DiMeFuran
|
|
{
|
|
specie
|
|
{
|
|
molWeight 96.1301;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 13.7702 0.0249984 -8.95649e-06 1.44355e-09 -8.63252e-14 -21263.7 -48.6283 );
|
|
lowCpCoeffs ( 2.56797 0.0300747 5.02736e-05 -9.23017e-08 4.05548e-11 -17034.9 15.1507 );
|
|
}
|
|
}
|
|
C8H7_C6H4CH=CH2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 103.145;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 15.7335 0.0238965 -8.6083e-06 1.39223e-09 -8.35066e-14 40882.8 -58.2477 );
|
|
lowCpCoeffs ( 1.17831 0.0340766 5.85066e-05 -1.10953e-07 4.95223e-11 46141.5 23.6053 );
|
|
}
|
|
}
|
|
MgClF
|
|
{
|
|
specie
|
|
{
|
|
molWeight 78.7634;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.57082 0.000448876 -1.77995e-07 3.06318e-11 -1.91555e-15 -70523.6 -5.83555 );
|
|
lowCpCoeffs ( 3.15704 0.0164535 -3.01127e-05 2.57975e-08 -8.42488e-12 -69891 10.2255 );
|
|
}
|
|
}
|
|
C16H10_Pyrene
|
|
{
|
|
specie
|
|
{
|
|
molWeight 202.258;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 29.91 0.042668 -1.57338e-05 2.58517e-09 -1.5668e-13 12762.4 -141.87 );
|
|
lowCpCoeffs ( -4.04245 0.091552 5.14381e-05 -1.52761e-07 7.30857e-11 24070.2 43.6665 );
|
|
}
|
|
}
|
|
SiO2(a-qz)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 60.0848;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 848;
|
|
Tcommon 848;
|
|
highCpCoeffs 7 { 0 };
|
|
lowCpCoeffs ( 0.936474 0.0116907 3.31334e-05 -9.45836e-08 6.37505e-11 -110466 -4.59778 );
|
|
}
|
|
}
|
|
s-1-C4H8__1-buten
|
|
{
|
|
specie
|
|
{
|
|
molWeight 56.1084;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 7.86795 0.0224449 -8.07705e-06 1.3018e-09 -7.77958e-14 -4238.53 -16.5663 );
|
|
lowCpCoeffs ( 5.13226 0.00533863 6.02929e-05 -7.60365e-08 2.87325e-11 -2167.18 3.82937 );
|
|
}
|
|
}
|
|
C4H6__1,3-butadien
|
|
{
|
|
specie
|
|
{
|
|
molWeight 54.0924;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 7.62637 0.0172523 -6.09185e-06 9.708e-10 -5.7617e-14 9553.06 -14.8325 );
|
|
lowCpCoeffs ( 4.106 0.00505576 5.83885e-05 -8.0595e-08 3.27448e-11 11509.2 8.42978 );
|
|
}
|
|
}
|
|
s-1,2-C6H4_BENZYNE
|
|
{
|
|
specie
|
|
{
|
|
molWeight 76.0988;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 10.5707 0.0156861 -5.68267e-06 9.22957e-10 -5.54966e-14 50497.7 -33.2564 );
|
|
lowCpCoeffs ( 0.721605 0.0247976 3.16372e-05 -6.53231e-08 2.96082e-11 53979.8 21.6734 );
|
|
}
|
|
}
|
|
C5H10O2_EtPropanoa
|
|
{
|
|
specie
|
|
{
|
|
molWeight 102.134;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.5713 0.0312932 -1.15116e-05 1.88194e-09 -1.13495e-13 -63206.3 -35.4763 );
|
|
lowCpCoeffs ( 9.56906 -0.00916445 0.000135873 -1.65275e-07 6.31185e-11 -59960.7 -8.0615 );
|
|
}
|
|
}
|
|
C14H14_Bibenzyl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 182.268;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 26.598 0.0468689 -1.69056e-05 2.73737e-09 -1.64236e-13 3188.11 -114.828 );
|
|
lowCpCoeffs ( 1.30522 0.0576221 0.000122418 -2.18121e-07 9.59097e-11 12662.8 29.0742 );
|
|
}
|
|
}
|
|
OS(liq)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 190.2;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 3300;
|
|
Thigh 6000;
|
|
Tcommon 3300;
|
|
highCpCoeffs ( 6.12731 -0.000102821 3.43935e-08 -5.06003e-12 2.7598e-16 -1514.72 -34.97 );
|
|
lowCpCoeffs 7 { 0 };
|
|
}
|
|
}
|
|
CH2NH+_MethaneIm
|
|
{
|
|
specie
|
|
{
|
|
molWeight 29.0412;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.47757 0.00719602 -2.49464e-06 3.92918e-10 -2.31119e-14 125045 0.302435 );
|
|
lowCpCoeffs ( 1.83562 0.0150811 -1.13941e-05 4.72489e-09 -6.98798e-13 125763 13.8419 );
|
|
}
|
|
}
|
|
HS2_anharmonic
|
|
{
|
|
specie
|
|
{
|
|
molWeight 65.136;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.75156 0.00215522 -7.39344e-07 1.2223e-10 -7.35968e-15 10821.4 2.6899 );
|
|
lowCpCoeffs ( 2.96279 0.00856185 -9.91988e-06 6.19874e-09 -1.5212e-12 11250.7 11.5829 );
|
|
}
|
|
}
|
|
CH2__EQUILIBRIUM
|
|
{
|
|
specie
|
|
{
|
|
molWeight 14.0271;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.1105 0.0037378 -1.37372e-06 2.23055e-10 -1.33567e-14 45971.6 4.62796 );
|
|
lowCpCoeffs ( 3.84262 -7.36677e-06 6.16971e-06 -6.9669e-09 2.64621e-12 45863.2 1.27584 );
|
|
}
|
|
}
|
|
CNH2__triradical
|
|
{
|
|
specie
|
|
{
|
|
molWeight 28.0338;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.84864 0.00516805 -1.7856e-06 2.80594e-10 -1.64782e-14 42842.2 3.24371 );
|
|
lowCpCoeffs ( 3.77102 -0.000848553 1.88163e-05 -2.33774e-08 9.13379e-12 43145.2 5.09399 );
|
|
}
|
|
}
|
|
MgSiO3(I)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 100.396;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 903;
|
|
Tcommon 903;
|
|
highCpCoeffs 7 { 0 };
|
|
lowCpCoeffs ( -5.10377 0.0943967 -0.000202377 2.04085e-07 -7.66994e-11 -187544 16.429 );
|
|
}
|
|
}
|
|
C4H7O__*(CH2)3CHO
|
|
{
|
|
specie
|
|
{
|
|
molWeight 71.0998;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 10.3339 0.0195406 -7.01164e-06 1.12731e-09 -6.72052e-14 -4493.24 -22.1268 );
|
|
lowCpCoeffs ( 3.72145 0.021717 3.0453e-05 -5.70409e-08 2.50725e-11 -1943.05 15.7464 );
|
|
}
|
|
}
|
|
HClO3
|
|
{
|
|
specie
|
|
{
|
|
molWeight 84.4592;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.57195 0.00337841 -1.19113e-06 1.90217e-10 -1.13119e-14 -4343.02 -14.5821 );
|
|
lowCpCoeffs ( 2.49639 0.0244349 -2.88076e-05 1.61345e-08 -3.31999e-12 -2914.52 15.6506 );
|
|
}
|
|
}
|
|
C2H3F3__FC-143A
|
|
{
|
|
specie
|
|
{
|
|
molWeight 84.0414;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 10.0541 0.0102516 -3.70172e-06 5.99864e-10 -3.60117e-14 -95022.2 -27.2331 );
|
|
lowCpCoeffs ( 1.75261 0.0304396 -1.49789e-05 -5.70776e-09 5.66225e-12 -92618.4 16.2401 );
|
|
}
|
|
}
|
|
C5H10__2MB-1-ene
|
|
{
|
|
specie
|
|
{
|
|
molWeight 70.1355;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 9.51681 0.028726 -1.0432e-05 1.69286e-09 -1.01615e-13 -9377.17 -24.022 );
|
|
lowCpCoeffs ( 6.97588 -0.00418502 0.000110741 -1.36719e-07 5.25887e-11 -6706.96 -1.18087 );
|
|
}
|
|
}
|
|
C2H3O2_HOCHCH=O
|
|
{
|
|
specie
|
|
{
|
|
molWeight 59.045;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 7.62958 0.00848057 -2.98127e-06 4.746e-10 -2.81444e-14 -24312.1 -7.85836 );
|
|
lowCpCoeffs ( 4.27439 0.00571108 2.99873e-05 -4.56656e-08 1.92682e-11 -22885.9 12.1596 );
|
|
}
|
|
}
|
|
C4H6__1,2-butadi
|
|
{
|
|
specie
|
|
{
|
|
molWeight 54.0924;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.13873 0.0168655 -5.97325e-06 9.54915e-10 -5.67694e-14 15546.8 -17.7959 );
|
|
lowCpCoeffs ( 2.90828 0.0179025 2.61487e-05 -4.81599e-08 2.11296e-11 17592.9 12.3118 );
|
|
}
|
|
}
|
|
CuCl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 98.993;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.39188 0.00017054 -4.55749e-08 7.87451e-12 -4.93788e-16 9612.38 3.3913 );
|
|
lowCpCoeffs ( 2.98838 0.00780809 -1.61529e-05 1.51847e-08 -5.30402e-12 9832.72 9.76939 );
|
|
}
|
|
}
|
|
SO-
|
|
{
|
|
specie
|
|
{
|
|
molWeight 48.0639;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.26591 0.000298021 -1.12949e-07 2.44213e-11 -1.9145e-15 -14069.1 2.4194 );
|
|
lowCpCoeffs ( 3.65351 0.00228026 -2.55566e-06 1.37405e-09 -2.7867e-13 -13915.6 5.50813 );
|
|
}
|
|
}
|
|
PbCl2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 278.096;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.86387 0.000144419 -5.77476e-08 9.99307e-12 -6.27299e-16 -23195.6 -1.26438 );
|
|
lowCpCoeffs ( 4.67247 0.0128334 -2.80322e-05 2.71928e-08 -9.70649e-12 -22878.4 8.53709 );
|
|
}
|
|
}
|
|
C12H23O2__7,9
|
|
{
|
|
specie
|
|
{
|
|
molWeight 199.316;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 30.8789 0.0668262 -2.48456e-05 4.337e-09 -2.88543e-13 -57392.2 -119.862 );
|
|
lowCpCoeffs ( -2.12964 0.162421 -0.000141506 7.76995e-08 -1.99735e-11 -47698 51.2381 );
|
|
}
|
|
}
|
|
Fe3O4(S)_Solid-B
|
|
{
|
|
specie
|
|
{
|
|
molWeight 231.539;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 850;
|
|
Thigh 1870;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 84.2363 -0.13549 0.000109817 -3.87847e-08 5.22775e-12 -161061 -442.636 );
|
|
lowCpCoeffs ( 80.1657 -0.0993204 4.41611e-05 0 0 -161840 -429.48 );
|
|
}
|
|
}
|
|
C2_triplet
|
|
{
|
|
specie
|
|
{
|
|
molWeight 24.0223;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.4335 0.00107185 -3.97897e-07 6.67457e-11 -4.10152e-15 100179 4.10588 );
|
|
lowCpCoeffs ( 3.76163 -0.00272143 8.69879e-06 -8.19305e-09 2.62415e-12 100255 3.18039 );
|
|
}
|
|
}
|
|
Zr+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 91.2195;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.90238 0.000557756 -1.96503e-07 2.74204e-11 -1.38947e-15 149096 5.60875 );
|
|
lowCpCoeffs ( 2.66927 0.00562568 -1.45423e-05 1.46425e-08 -5.10546e-12 148944 5.72829 );
|
|
}
|
|
}
|
|
SF2+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 70.0603;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.20086 0.00083886 -3.34063e-07 5.68538e-11 -3.33507e-15 82850.3 -4.29887 );
|
|
lowCpCoeffs ( 2.43315 0.0154761 -2.29615e-05 1.64031e-08 -4.59172e-12 83673 14.1024 );
|
|
}
|
|
}
|
|
PETN___Solid
|
|
{
|
|
specie
|
|
{
|
|
molWeight 316.139;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 293;
|
|
Thigh 550;
|
|
Tcommon 293;
|
|
highCpCoeffs 7 { 0 };
|
|
lowCpCoeffs ( 277.775 -1.73349 0.00309927 8.72626e-07 -2.15382e-09 -98624.1 -1194.75 );
|
|
}
|
|
}
|
|
C3H3O__CH2=CHC*O
|
|
{
|
|
specie
|
|
{
|
|
molWeight 55.0568;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.90704 0.0102342 -3.6565e-06 5.87914e-10 -3.51359e-14 7627.09 -7.29856 );
|
|
lowCpCoeffs ( 4.11237 0.00505829 3.17832e-05 -4.55489e-08 1.86326e-11 8997.14 10.1744 );
|
|
}
|
|
}
|
|
SB(CH3)2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 151.82;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.74202 0.0159118 -5.6315e-06 8.99397e-10 -5.34174e-14 14220.5 -4.60823 );
|
|
lowCpCoeffs ( 4.74742 0.012719 1.70266e-05 -2.86489e-08 1.20242e-11 15230.4 7.86383 );
|
|
}
|
|
}
|
|
BF2Cl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 84.2608;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 7.73893 0.00229588 -8.94592e-07 1.52236e-10 -9.44749e-15 -109561 -12.4821 );
|
|
lowCpCoeffs ( 2.17355 0.021402 -2.74951e-05 1.81054e-08 -4.90286e-12 -108191 15.3953 );
|
|
}
|
|
}
|
|
C2N2_Isocyanogen
|
|
{
|
|
specie
|
|
{
|
|
molWeight 52.0357;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.46649 0.00378556 -1.40601e-06 2.31962e-10 -1.40934e-14 47379.7 -3.4654 );
|
|
lowCpCoeffs ( 3.79226 0.0128464 -1.49556e-05 1.06206e-08 -3.23981e-12 48088 10.065 );
|
|
}
|
|
}
|
|
Sb(OH)2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 155.765;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.28394 0.00255829 -7.48844e-07 1.02844e-10 -5.41588e-15 -36226.6 -11.0265 );
|
|
lowCpCoeffs ( 1.63966 0.0353286 -6.03953e-05 4.78727e-08 -1.42548e-11 -35177.9 19.5625 );
|
|
}
|
|
}
|
|
MgS(L)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 56.376;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 2500;
|
|
Thigh 6000;
|
|
Tcommon 2500;
|
|
highCpCoeffs ( 8.0582 0 0 0 0 -39199.2 -40.1499 );
|
|
lowCpCoeffs 7 { 0 };
|
|
}
|
|
}
|
|
C4H6O2_Crotonic_ac
|
|
{
|
|
specie
|
|
{
|
|
molWeight 86.0912;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.5068 0.0179507 -6.45643e-06 1.04141e-09 -6.22628e-14 -49209.6 -37.4168 );
|
|
lowCpCoeffs ( 3.40323 0.0269846 2.63698e-05 -5.87467e-08 2.69692e-11 -46024.4 13.1928 );
|
|
}
|
|
}
|
|
BOCl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 62.2634;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.71294 0.00174648 -6.65506e-07 1.11679e-10 -6.86624e-15 -40230.1 -4.83546 );
|
|
lowCpCoeffs ( 1.987 0.0200158 -3.78884e-05 3.52098e-08 -1.24255e-11 -39522 12.6498 );
|
|
}
|
|
}
|
|
H
|
|
{
|
|
specie
|
|
{
|
|
molWeight 1.00797;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.5 0 0 0 0 25473.7 -0.446683 );
|
|
lowCpCoeffs ( 2.5 0 0 0 0 25473.7 -0.446683 );
|
|
}
|
|
}
|
|
HNNH+_Trans
|
|
{
|
|
specie
|
|
{
|
|
molWeight 30.0288;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.57178 0.00546797 -1.90456e-06 3.00912e-10 -1.77376e-14 134704 4.60091 );
|
|
lowCpCoeffs ( 2.86378 0.00499212 3.52876e-06 -6.68371e-09 2.71742e-12 135038 8.8952 );
|
|
}
|
|
}
|
|
s-*CH2NH2+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 30.0492;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.1667 0.0107551 -3.71135e-06 5.82854e-10 -3.42181e-14 89487.9 5.89356 );
|
|
lowCpCoeffs ( 2.74075 0.00142261 2.78967e-05 -3.39022e-08 1.26012e-11 90138.2 10.7005 );
|
|
}
|
|
}
|
|
PbF
|
|
{
|
|
specie
|
|
{
|
|
molWeight 226.188;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.6247 -0.000357183 2.96709e-07 -5.23626e-11 2.70488e-15 -13330.5 3.63389 );
|
|
lowCpCoeffs ( 2.78064 0.00811843 -1.57616e-05 1.41586e-08 -4.78151e-12 -12967.4 12.3848 );
|
|
}
|
|
}
|
|
C6H12_4MP-2en_tran
|
|
{
|
|
specie
|
|
{
|
|
molWeight 84.1625;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 10.9181 0.0343503 -1.22729e-05 1.97007e-09 -1.17374e-13 -12501 -29.2799 );
|
|
lowCpCoeffs ( 8.9838 -0.008707 0.00014005 -1.71777e-07 6.62978e-11 -9658.85 -7.71073 );
|
|
}
|
|
}
|
|
CHBr2F__FC-23
|
|
{
|
|
specie
|
|
{
|
|
molWeight 191.819;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.69322 0.00398145 -1.46736e-06 2.4105e-10 -1.46087e-14 -24732.8 -13.4381 );
|
|
lowCpCoeffs ( 3.20835 0.0203546 -1.83951e-05 6.24105e-09 2.47805e-14 -23299.9 14.5309 );
|
|
}
|
|
}
|
|
C8H5_HCC-CH=CH-C
|
|
{
|
|
specie
|
|
{
|
|
molWeight 101.129;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 17.0924 0.0168784 -6.06532e-06 9.78732e-10 -5.85569e-14 90639.2 -55.8864 );
|
|
lowCpCoeffs ( 1.78643 0.0732587 -9.17302e-05 6.36392e-08 -1.81286e-11 94258.8 19.926 );
|
|
}
|
|
}
|
|
C5H11,pentyl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 71.1434;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 11.3174 0.029639 -1.08647e-05 1.78412e-09 -1.07914e-13 -239.944 -31.1204 );
|
|
lowCpCoeffs ( 7.17405 0.00380923 0.00010438 -1.39635e-07 5.60398e-11 2528.72 -1.18869 );
|
|
}
|
|
}
|
|
AlBr2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 186.783;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.96885 -0.000138679 1.17498e-07 -1.81462e-11 7.58692e-16 -19077.1 -2.32398 );
|
|
lowCpCoeffs ( 3.84878 0.0159363 -3.29104e-05 3.07544e-08 -1.06987e-11 -18538.5 12.0851 );
|
|
}
|
|
}
|
|
F+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 18.9979;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.68835 -0.000176183 6.06941e-08 -8.9153e-12 5.47552e-16 211724 4.27481 );
|
|
lowCpCoeffs ( 3.08421 -0.000900062 -1.64599e-07 1.10121e-09 -5.56271e-13 211599 2.14598 );
|
|
}
|
|
}
|
|
CHD2NO2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 63.0528;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.08961 0.00983765 -3.67241e-06 6.08123e-10 -3.70523e-14 -10558.5 -15.88 );
|
|
lowCpCoeffs ( 2.86576 0.00970884 2.98575e-05 -4.74819e-08 1.98757e-11 -8406.94 14.6208 );
|
|
}
|
|
}
|
|
o-C6H4I2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 329.908;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 13.7139 0.0188326 -6.95337e-06 1.14318e-09 -6.93054e-14 23845.8 -39.6814 );
|
|
lowCpCoeffs ( 3.81101 0.0344178 6.56147e-07 -2.35164e-08 1.12985e-11 27311 14.7132 );
|
|
}
|
|
}
|
|
HS2__RRHO
|
|
{
|
|
specie
|
|
{
|
|
molWeight 65.136;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.00285 0.00153334 -3.71726e-07 4.1231e-11 -1.83713e-15 50946.2 1.3679 );
|
|
lowCpCoeffs ( 2.96324 0.00855502 -1.00388e-05 6.25269e-09 -1.52826e-12 51449.8 11.58 );
|
|
}
|
|
}
|
|
Al
|
|
{
|
|
specie
|
|
{
|
|
molWeight 26.9815;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.53152 -4.16003e-05 2.40956e-08 -7.15421e-12 8.68511e-16 38941.1 5.39171 );
|
|
lowCpCoeffs ( 3.11147 -0.00357363 8.02692e-06 -7.89637e-09 2.83935e-12 38864.2 2.83632 );
|
|
}
|
|
}
|
|
N2H2_cis
|
|
{
|
|
specie
|
|
{
|
|
molWeight 30.0293;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.876 0.00627713 -2.23962e-06 3.59793e-10 -2.14617e-14 25465 7.74692 );
|
|
lowCpCoeffs ( 4.94282 -0.0107739 3.75169e-05 -3.70654e-08 1.26315e-11 25497.2 -0.0455417 );
|
|
}
|
|
}
|
|
O4_cyclo
|
|
{
|
|
specie
|
|
{
|
|
molWeight 63.9976;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 7.98777 0.00207474 -8.15656e-07 1.39579e-10 -8.69453e-15 44902.9 -17.5119 );
|
|
lowCpCoeffs ( 1.90386 0.0165202 -4.81057e-06 -1.22755e-08 8.03977e-12 46589.8 14.1925 );
|
|
}
|
|
}
|
|
BrI
|
|
{
|
|
specie
|
|
{
|
|
molWeight 206.805;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.4497 0.000112123 -2.13637e-08 3.69798e-12 -2.3218e-16 3561.94 5.70384 );
|
|
lowCpCoeffs ( 3.60436 0.00506402 -1.1025e-05 1.07528e-08 -3.85225e-12 3682.33 9.47309 );
|
|
}
|
|
}
|
|
C4H9_t-butyl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 57.1163;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.72557 0.0253649 -9.05306e-06 1.45475e-09 -8.67934e-14 2574.31 -8.8992 );
|
|
lowCpCoeffs ( 6.45911 -0.0102016 0.000106311 -1.25717e-07 4.75543e-11 4434.2 1.30649 );
|
|
}
|
|
}
|
|
ND3
|
|
{
|
|
specie
|
|
{
|
|
molWeight 20.049;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.74049 0.00566469 -1.95158e-06 2.98615e-10 -1.71465e-14 -8107.68 1.17488 );
|
|
lowCpCoeffs ( 3.79962 -0.00134158 1.95137e-05 -2.28146e-08 8.57791e-12 -7759.48 2.59569 );
|
|
}
|
|
}
|
|
CF2-
|
|
{
|
|
specie
|
|
{
|
|
molWeight 50.0085;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.1775 0.000852152 -3.35979e-07 5.76032e-11 -3.59283e-15 -28058.3 -4.80934 );
|
|
lowCpCoeffs ( 2.10002 0.0169018 -2.55394e-05 1.85664e-08 -5.28114e-12 -27176.1 15.0588 );
|
|
}
|
|
}
|
|
Ge(S)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 72.59;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 1211.4;
|
|
Tcommon 400;
|
|
highCpCoeffs ( 63.912 -0.39397 0.000838185 -7.33467e-07 2.27921e-10 -6907.47 -269.877 );
|
|
lowCpCoeffs ( 0.269625 0.0207261 -5.84224e-05 5.79976e-08 0 -600.037 -1.89215 );
|
|
}
|
|
}
|
|
C5H7_1,3-diene-5yl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 67.1115;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 10.0547 0.0209923 -7.61352e-06 1.23002e-09 -7.35401e-14 19817.9 -26.3877 );
|
|
lowCpCoeffs ( 3.25249 0.0180696 4.89541e-05 -7.98199e-08 3.41338e-11 22646.7 13.7043 );
|
|
}
|
|
}
|
|
C9H12__C(CH=CH2)4
|
|
{
|
|
specie
|
|
{
|
|
molWeight 120.196;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 18.8287 0.0355744 -1.27781e-05 2.04613e-09 -1.21482e-13 21416.5 -70.8075 );
|
|
lowCpCoeffs ( 3.71154 0.059079 1.07786e-05 -5.99861e-08 2.99666e-11 26419.5 11.4904 );
|
|
}
|
|
}
|
|
C2F5___PentaFluo
|
|
{
|
|
specie
|
|
{
|
|
molWeight 119.014;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 14.5576 0.00416794 -1.72789e-06 3.02375e-10 -1.90424e-14 -113836 -45.0857 );
|
|
lowCpCoeffs ( 2.35962 0.040676 -3.97029e-05 1.42584e-08 -3.10091e-13 -110665 17.0749 );
|
|
}
|
|
}
|
|
C5H8O_1-C5H7-3-OH
|
|
{
|
|
specie
|
|
{
|
|
molWeight 84.1189;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 11.7779 0.0243872 -8.70274e-06 1.39912e-09 -8.35284e-14 -21233.3 -39.5038 );
|
|
lowCpCoeffs ( 1.35585 0.022079 7.1543e-05 -1.15935e-07 4.97349e-11 -17035.9 21.3315 );
|
|
}
|
|
}
|
|
PH2-
|
|
{
|
|
specie
|
|
{
|
|
molWeight 32.9903;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.03028 0.00349534 -1.24426e-06 1.99401e-10 -1.18682e-14 -2172.26 6.42905 );
|
|
lowCpCoeffs ( 3.95759 -0.000728834 5.13055e-06 -3.73172e-09 8.41295e-13 -2300.28 2.15723 );
|
|
}
|
|
}
|
|
C12H5O3Cl4_DOH2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 338.984;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 37.7084 0.0297513 -1.1055e-05 1.82624e-09 -1.11115e-13 -54106.9 -163.826 );
|
|
lowCpCoeffs ( 2.53395 0.122701 -8.73953e-05 1.16842e-08 8.59557e-12 -44166.6 18.9081 );
|
|
}
|
|
}
|
|
C2H5O__CH3CH2O*
|
|
{
|
|
specie
|
|
{
|
|
molWeight 45.0616;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.55054 0.0132526 -4.74726e-06 7.64699e-10 -4.57008e-14 -4471.92 -9.61231 );
|
|
lowCpCoeffs ( 3.26906 0.00933563 2.96317e-05 -4.53411e-08 1.88796e-11 -2950.23 10.4201 );
|
|
}
|
|
}
|
|
C22H44O2_Behenic
|
|
{
|
|
specie
|
|
{
|
|
molWeight 340.595;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 49.7861 0.133692 -4.81966e-05 7.79581e-09 -4.67233e-13 -129226 -232.471 );
|
|
lowCpCoeffs ( 25.149 -0.0104152 0.000584232 -7.54109e-07 2.97753e-10 -112513 -54.9776 );
|
|
}
|
|
}
|
|
Al2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 53.963;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.66903 0.00141606 -3.92218e-07 1.27858e-11 2.21296e-15 59262.3 8.28154 );
|
|
lowCpCoeffs ( 3.8959 0.00361051 -7.95807e-06 8.11722e-09 -2.9577e-12 59026 6.34137 );
|
|
}
|
|
}
|
|
NaO2(L)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 54.9886;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 825;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.0272 0 0 0 0 -33749.3 -54.1598 );
|
|
lowCpCoeffs ( 12.0272 0 0 0 0 -33749.3 -54.1598 );
|
|
}
|
|
}
|
|
SiO2(b-crt)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 60.0848;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 1200;
|
|
Thigh 1996;
|
|
Tcommon 1200;
|
|
highCpCoeffs ( 636.428 -1.56354 0.00144257 -5.8602e-07 8.86037e-11 -315855 -3367.69 );
|
|
lowCpCoeffs 7 { 0 };
|
|
}
|
|
}
|
|
C2Cl2F2_1,2-trans
|
|
{
|
|
specie
|
|
{
|
|
molWeight 132.925;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.2452 0.00378047 -1.46579e-06 2.48661e-10 -1.53991e-14 -45414.7 -32.7309 );
|
|
lowCpCoeffs ( 2.62914 0.04104 -6.21785e-05 4.85227e-08 -1.52202e-11 -43218.4 14.5011 );
|
|
}
|
|
}
|
|
C6H5_FULVENYL_RA
|
|
{
|
|
specie
|
|
{
|
|
molWeight 77.1068;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 11.8218 0.0169728 -6.08274e-06 9.80872e-10 -5.86876e-14 50744.4 -39.1775 );
|
|
lowCpCoeffs ( 0.0438208 0.032048 2.74261e-05 -6.83854e-08 3.25017e-11 54644.8 25.3347 );
|
|
}
|
|
}
|
|
C7H8O2__Guaiacol
|
|
{
|
|
specie
|
|
{
|
|
molWeight 124.141;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 17.418 0.0269661 -9.77689e-06 1.58516e-09 -9.51209e-14 -38171.2 -65.1147 );
|
|
lowCpCoeffs ( 1.39819 0.047556 2.76747e-05 -7.56946e-08 3.51629e-11 -32661.9 23.1758 );
|
|
}
|
|
}
|
|
MnO_(L)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 70.9374;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 2115;
|
|
Thigh 2500;
|
|
Tcommon 2115;
|
|
highCpCoeffs ( -26.3748 0.0581347 -3.75985e-05 1.07962e-08 -1.16135e-12 -28880 156.913 );
|
|
lowCpCoeffs 7 { 0 };
|
|
}
|
|
}
|
|
C3F8_FC-218
|
|
{
|
|
specie
|
|
{
|
|
molWeight 188.021;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 23.3805 0.0071509 -3.00043e-06 5.55667e-10 -3.7866e-14 -220343 -89.6737 );
|
|
lowCpCoeffs ( 1.67326 0.0725423 -7.02919e-05 2.50544e-08 -9.48769e-13 -214844 20.5905 );
|
|
}
|
|
}
|
|
MgF+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 43.3099;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.56351 0.00170635 -1.34966e-06 3.12907e-10 -2.29615e-14 59662.1 -7.85858 );
|
|
lowCpCoeffs ( 3.29165 0.00323079 -7.90111e-06 1.66138e-08 -9.02502e-12 61080.8 6.40299 );
|
|
}
|
|
}
|
|
C12H4O2Cl4__2378
|
|
{
|
|
specie
|
|
{
|
|
molWeight 321.976;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 35.5552 0.0268114 -1.00052e-05 1.65727e-09 -1.01016e-13 -30923.1 -155.001 );
|
|
lowCpCoeffs ( 0.842162 0.118543 -8.34716e-05 7.54874e-09 1.04549e-11 -21171.3 25.186 );
|
|
}
|
|
}
|
|
C2D6O_dimeether
|
|
{
|
|
specie
|
|
{
|
|
molWeight 52.1063;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 10.4078 0.0130496 -4.91668e-06 8.18987e-10 -5.01138e-14 -29779.8 -31.4333 );
|
|
lowCpCoeffs ( 3.37987 0.0130787 3.98834e-05 -6.41159e-08 2.70836e-11 -26892.8 9.54618 );
|
|
}
|
|
}
|
|
C16H29O2_paloleR
|
|
{
|
|
specie
|
|
{
|
|
molWeight 253.408;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 36.6629 0.0910159 -3.3315e-05 5.43843e-09 -3.27886e-13 -61703.6 -160.811 );
|
|
lowCpCoeffs ( 18.387 -0.00117957 0.000383143 -4.96731e-07 1.95856e-10 -49843.5 -32.2551 );
|
|
}
|
|
}
|
|
N2H
|
|
{
|
|
specie
|
|
{
|
|
molWeight 29.0214;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.42744 0.00323295 -1.17296e-06 1.90508e-10 -1.14492e-14 28767.6 6.39209 );
|
|
lowCpCoeffs ( 4.25475 -0.00345098 1.37789e-05 -1.33264e-08 4.41023e-12 28793.2 3.28552 );
|
|
}
|
|
}
|
|
CH(NO2)3
|
|
{
|
|
specie
|
|
{
|
|
molWeight 151.036;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 19.6787 0.0097922 -3.98954e-06 6.90038e-10 -4.30975e-14 -9129.56 -65.3723 );
|
|
lowCpCoeffs ( 1.67089 0.0680307 -7.78812e-05 4.43795e-08 -1.00716e-11 -4527.09 25.6726 );
|
|
}
|
|
}
|
|
S6
|
|
{
|
|
specie
|
|
{
|
|
molWeight 192.384;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 2500;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 13.4044 0.00342127 -1.12816e-06 1.4642e-10 -6.61286e-15 8108.61 -34.2546 );
|
|
lowCpCoeffs ( 2.69716 0.0686819 -0.000143788 1.35427e-07 -4.71806e-11 9353.5 12.4775 );
|
|
}
|
|
}
|
|
C14H28___1-tetra
|
|
{
|
|
specie
|
|
{
|
|
molWeight 196.379;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 29.2612 0.0836882 -3.29145e-05 6.01623e-09 -4.1473e-13 -40128.6 -113.578 );
|
|
lowCpCoeffs ( -3.3237 0.170787 -0.000123665 5.31281e-08 -1.12901e-11 -30445.9 56.8015 );
|
|
}
|
|
}
|
|
H2NN-_Isodiazene-
|
|
{
|
|
specie
|
|
{
|
|
molWeight 30.0299;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.34602 0.00573213 -2.01459e-06 3.20336e-10 -1.89704e-14 43597.2 7.53949 );
|
|
lowCpCoeffs ( 3.58647 -0.000608385 1.56024e-05 -1.73453e-08 6.12968e-12 43841.3 7.76191 );
|
|
}
|
|
}
|
|
GeS2_linear___HF
|
|
{
|
|
specie
|
|
{
|
|
molWeight 136.718;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 7.11177 0.000407098 -1.61677e-07 2.78518e-11 -1.74291e-15 11233.7 -8.46948 );
|
|
lowCpCoeffs ( 3.64176 0.017253 -3.26204e-05 2.86245e-08 -9.51568e-12 11853.9 7.73014 );
|
|
}
|
|
}
|
|
P2H4
|
|
{
|
|
specie
|
|
{
|
|
molWeight 65.9795;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 7.37046 0.00807292 -2.99231e-06 4.93004e-10 -2.99258e-14 -524.899 -13.1623 );
|
|
lowCpCoeffs ( 2.32339 0.0221791 -1.79761e-05 7.43037e-09 -1.04259e-12 931.878 13.0281 );
|
|
}
|
|
}
|
|
C12_linear_singlet
|
|
{
|
|
specie
|
|
{
|
|
molWeight 144.134;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 20.7582 0.013321 -5.04846e-06 8.43988e-10 -5.17486e-14 222294 -74.4918 );
|
|
lowCpCoeffs ( 4.11713 0.0744613 -0.000103689 8.11767e-08 -2.62436e-11 226400 8.41103 );
|
|
}
|
|
}
|
|
HCNO+_Fulminic_cat
|
|
{
|
|
specie
|
|
{
|
|
molWeight 43.0252;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.14296 0.00384729 -1.37587e-06 2.21483e-10 -1.32339e-14 144396 -8.65783 );
|
|
lowCpCoeffs ( 1.1113 0.0257273 -3.99372e-05 3.18403e-08 -9.91911e-12 145418 15.4371 );
|
|
}
|
|
}
|
|
CH3Cl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 50.4881;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.97884 0.00791729 -2.81714e-06 4.51716e-10 -2.69086e-14 -11676.2 2.58273 );
|
|
lowCpCoeffs ( 3.96612 -0.00505693 4.02006e-05 -4.82782e-08 1.86722e-11 -11073 5.70447 );
|
|
}
|
|
}
|
|
Ni-
|
|
{
|
|
specie
|
|
{
|
|
molWeight 58.7105;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.99171 -0.00020541 2.02488e-08 2.50542e-12 -3.90759e-16 36510.9 3.78136 );
|
|
lowCpCoeffs ( 2.6599 -0.00199967 7.42063e-06 -8.27105e-09 2.99886e-12 36741.6 6.17556 );
|
|
}
|
|
}
|
|
F2O2__F-O-O-F
|
|
{
|
|
specie
|
|
{
|
|
molWeight 69.9956;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.65307 0.00138758 -5.45323e-07 9.33107e-11 -5.8124e-15 1043.82 -16.9987 );
|
|
lowCpCoeffs ( 2.14732 0.0293491 -4.95409e-05 4.05003e-08 -1.28729e-11 2372.36 14.2255 );
|
|
}
|
|
}
|
|
C10H14__C5H7-C5H7
|
|
{
|
|
specie
|
|
{
|
|
molWeight 134.223;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 18.8607 0.0450239 -1.62736e-05 2.63802e-09 -1.5838e-13 2751.04 -78.3843 );
|
|
lowCpCoeffs ( 5.02949 0.00693646 0.00020424 -2.79971e-07 1.13855e-10 9970.86 10.6886 );
|
|
}
|
|
}
|
|
H3PO__HOPH2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 49.9971;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.15923 0.00546647 -1.9269e-06 3.07382e-10 -1.82565e-14 -27691.1 -6.55338 );
|
|
lowCpCoeffs ( 2.39504 0.0105845 8.84485e-06 -2.30431e-08 1.12067e-11 -26483.9 13.9221 );
|
|
}
|
|
}
|
|
Mg(L)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 24.312;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 923;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.12532 0 0 0 0 -658.992 -19.3783 );
|
|
lowCpCoeffs ( 4.12532 0 0 0 0 -658.992 -19.3783 );
|
|
}
|
|
}
|
|
C3F3__PerFOroargyl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 93.0286;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 11.2378 0.00472023 -1.8132e-06 3.05775e-10 -1.886e-14 -20255.8 -27.3469 );
|
|
lowCpCoeffs ( 2.76397 0.0357836 -5.06266e-05 3.86566e-08 -1.21458e-11 -18204.8 14.78 );
|
|
}
|
|
}
|
|
Mo(L)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 95.94;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 2896;
|
|
Thigh 6000;
|
|
Tcommon 2896;
|
|
highCpCoeffs ( 4.52895 0 0 0 0 2022.02 -22.8062 );
|
|
lowCpCoeffs 7 { 0 };
|
|
}
|
|
}
|
|
CH2N2O__H2C=N-N=O
|
|
{
|
|
specie
|
|
{
|
|
molWeight 58.0399;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 7.26219 0.00787392 -2.85369e-06 4.63521e-10 -2.78698e-14 24651.5 -11.5596 );
|
|
lowCpCoeffs ( 3.48959 0.0125272 5.44139e-06 -1.61064e-08 7.36625e-12 25996.1 9.37452 );
|
|
}
|
|
}
|
|
C8H18(L)_isooctane
|
|
{
|
|
specie
|
|
{
|
|
molWeight 114.233;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 165.79;
|
|
Thigh 380;
|
|
Tcommon 380;
|
|
highCpCoeffs 7 { 0 };
|
|
lowCpCoeffs ( 17.5199 0.0157484 7.35947e-05 -6.10398e-10 4.70619e-13 -37742.3 -68.3211 );
|
|
}
|
|
}
|
|
CBrCl2F___11B1
|
|
{
|
|
specie
|
|
{
|
|
molWeight 181.816;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 11.3143 0.00174469 -6.87508e-07 1.17837e-10 -7.34842e-15 -32678.2 -26.0573 );
|
|
lowCpCoeffs ( 2.46598 0.0392622 -6.51437e-05 5.21389e-08 -1.62414e-11 -30861.7 16.4933 );
|
|
}
|
|
}
|
|
N2O5
|
|
{
|
|
specie
|
|
{
|
|
molWeight 108.01;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 13.1108 0.00487436 -1.87549e-06 3.16375e-10 -1.95927e-14 -2859.32 -34.6877 );
|
|
lowCpCoeffs ( 3.68767 0.0392121 -5.5377e-05 4.20098e-08 -1.31261e-11 -573.271 12.1968 );
|
|
}
|
|
}
|
|
H2SO4
|
|
{
|
|
specie
|
|
{
|
|
molWeight 98.0775;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 11.3355 0.00560829 -1.94574e-06 3.07136e-10 -1.8111e-14 -92108.7 -29.6094 );
|
|
lowCpCoeffs ( 4.53388 0.0310348 -4.10422e-05 2.95752e-08 -8.81459e-12 -90545.9 3.93961 );
|
|
}
|
|
}
|
|
C2H4O2_acetaldeh
|
|
{
|
|
specie
|
|
{
|
|
molWeight 60.053;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.91089 0.0123281 -4.38373e-06 7.03055e-10 -4.1901e-14 -40021.2 -6.96133 );
|
|
lowCpCoeffs ( 6.14926 -0.00596828 5.96003e-05 -7.16664e-08 2.74014e-11 -38835.7 1.86645 );
|
|
}
|
|
}
|
|
FeS(L)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 87.911;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 1465;
|
|
Thigh 6000;
|
|
Tcommon 1465;
|
|
highCpCoeffs ( 7.54825 0 0 0 0 -9926.04 -32.1558 );
|
|
lowCpCoeffs 7 { 0 };
|
|
}
|
|
}
|
|
C7H10_24C5H4(CH3)2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 94.1578;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.8454 0.0311789 -1.11789e-05 1.80235e-09 -1.07799e-13 929.739 -43.7889 );
|
|
lowCpCoeffs ( 5.40587 0.0126773 9.66456e-05 -1.34078e-07 5.38891e-11 4849.27 3.98518 );
|
|
}
|
|
}
|
|
CHF__singlet
|
|
{
|
|
specie
|
|
{
|
|
molWeight 32.0175;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.09415 0.00534934 -1.69763e-06 2.19446e-10 -1.00206e-14 17204.2 13.7861 );
|
|
lowCpCoeffs ( 4.42273 -0.00560196 2.21849e-05 -2.39634e-08 8.91307e-12 16651.6 2.54111 );
|
|
}
|
|
}
|
|
C6H2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 74.0828;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.5238 0.00878597 -3.13664e-06 5.04347e-10 -3.01111e-14 79783.9 -38.8501 );
|
|
lowCpCoeffs ( -0.594408 0.0746614 -0.000135848 1.22198e-07 -4.17698e-11 82126 22.1179 );
|
|
}
|
|
}
|
|
SbF
|
|
{
|
|
specie
|
|
{
|
|
molWeight 140.748;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.03332 -0.000575566 3.29303e-07 -6.53262e-11 4.37257e-15 -10451.8 -0.220147 );
|
|
lowCpCoeffs ( 1.97345 0.0134491 -2.34262e-05 1.76007e-08 -4.87093e-12 -9927.17 14.0999 );
|
|
}
|
|
}
|
|
C2D4O_Acetaldehy
|
|
{
|
|
specie
|
|
{
|
|
molWeight 48.0781;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.86269 0.0092558 -3.48776e-06 5.80904e-10 -3.55274e-14 -25489.4 -22.2457 );
|
|
lowCpCoeffs ( 1.6306 0.0246819 -8.69489e-06 -7.92179e-09 5.48031e-12 -23212.1 16.3445 );
|
|
}
|
|
}
|
|
C8H8___1,3,5,7_Cy
|
|
{
|
|
specie
|
|
{
|
|
molWeight 104.153;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 15.7297 0.027477 -1.00024e-05 1.62924e-09 -9.81447e-14 28106.8 -62.2759 );
|
|
lowCpCoeffs ( 0.903399 0.0387731 5.25765e-05 -1.04054e-07 4.65363e-11 33519.3 21.1241 );
|
|
}
|
|
}
|
|
C4H5O2_MeAcrylatR
|
|
{
|
|
specie
|
|
{
|
|
molWeight 85.0833;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 11.5665 0.0163092 -5.83673e-06 9.364e-10 -5.57705e-14 -11744.3 -30.2232 );
|
|
lowCpCoeffs ( 4.9034 0.0203985 2.46765e-05 -4.83909e-08 2.13321e-11 -9242.65 7.55337 );
|
|
}
|
|
}
|
|
B2O
|
|
{
|
|
specie
|
|
{
|
|
molWeight 37.6214;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.3919 0.00112849 -4.40233e-07 7.49498e-11 -4.65195e-15 21025.8 -10.0109 );
|
|
lowCpCoeffs ( 4.34786 0.00394843 4.5324e-06 -1.07879e-08 5.10967e-12 21695.2 1.14501 );
|
|
}
|
|
}
|
|
C8H6S__Benzothyo
|
|
{
|
|
specie
|
|
{
|
|
molWeight 134.201;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 17.0117 0.0234463 -8.5094e-06 1.38389e-09 -8.32933e-14 12003.3 -67.1303 );
|
|
lowCpCoeffs ( -1.21368 0.051247 2.46053e-05 -8.07985e-08 3.94089e-11 17937.2 31.929 );
|
|
}
|
|
}
|
|
Si+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 28.0855;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.64159 -0.000149478 6.00918e-08 -1.0574e-11 6.84134e-16 148706 4.76759 );
|
|
lowCpCoeffs ( 4.23261 -0.00743109 1.31426e-05 -1.07436e-08 3.34175e-12 148410 -2.74005 );
|
|
}
|
|
}
|
|
SiCl4
|
|
{
|
|
specie
|
|
{
|
|
molWeight 169.898;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.1209 0.000923097 -3.66896e-07 6.32376e-11 -3.95873e-15 -83518.4 -30.0002 );
|
|
lowCpCoeffs ( 3.58462 0.0437388 -8.52184e-05 7.65081e-08 -2.58767e-11 -82042.8 9.56277 );
|
|
}
|
|
}
|
|
NO2-cyclo_N(OO)-
|
|
{
|
|
specie
|
|
{
|
|
molWeight 46.006;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.03319 0.00197977 -7.67208e-07 1.30084e-10 -8.0522e-15 32607.9 -1.2986 );
|
|
lowCpCoeffs ( 3.32022 0.00233476 8.24684e-06 -1.25782e-08 5.04417e-12 33305.3 8.6452 );
|
|
}
|
|
}
|
|
SiO2(b-qz)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 60.0848;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 848;
|
|
Thigh 1200;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 45.2952 -0.068901 3.1853e-05 0 0 -129762 -245.974 );
|
|
lowCpCoeffs ( 29.6202 -0.0476273 2.62543e-05 0 0 -122857 -156.169 );
|
|
}
|
|
}
|
|
FeCl2(S)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 126.753;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 950;
|
|
Tcommon 950;
|
|
highCpCoeffs 7 { 0 };
|
|
lowCpCoeffs ( 5.21718 0.0256107 -5.59551e-05 5.70205e-08 -2.14761e-11 -43414.8 -21.1498 );
|
|
}
|
|
}
|
|
C18H32O2_Linoleic
|
|
{
|
|
specie
|
|
{
|
|
molWeight 280.455;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 40.0519 0.0990471 -3.56487e-05 5.76144e-09 -3.45149e-13 -80911.9 -178.653 );
|
|
lowCpCoeffs ( 17.0963 0.0213239 0.000367127 -4.94203e-07 1.97522e-10 -67935.7 -26.5577 );
|
|
}
|
|
}
|
|
N3
|
|
{
|
|
specie
|
|
{
|
|
molWeight 42.0201;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.64111 0.00276961 -1.04918e-06 1.75341e-10 -1.07483e-14 52373.1 -0.940233 );
|
|
lowCpCoeffs ( 2.86063 0.00424883 5.14574e-06 -1.01479e-08 4.4188e-12 53043.9 9.11587 );
|
|
}
|
|
}
|
|
CH4O2__CH3OOH
|
|
{
|
|
specie
|
|
{
|
|
molWeight 48.0418;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 7.76538 0.008615 -2.98007e-06 4.68638e-10 -2.75339e-14 -18298 -14.3993 );
|
|
lowCpCoeffs ( 2.90541 0.0174995 5.28244e-06 -2.52827e-08 1.34368e-11 -16889.5 11.3742 );
|
|
}
|
|
}
|
|
CBr2Cl2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 242.719;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 11.9535 0.00109444 -4.3395e-07 7.46764e-11 -4.66969e-15 -3461.83 -26.3646 );
|
|
lowCpCoeffs ( 3.47891 0.041464 -7.71494e-05 6.7046e-08 -2.21555e-11 -1912.89 13.3777 );
|
|
}
|
|
}
|
|
PN
|
|
{
|
|
specie
|
|
{
|
|
molWeight 44.9805;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.71814 0.000793894 -2.85987e-07 4.47442e-11 -2.26151e-15 19388.1 3.7715 );
|
|
lowCpCoeffs ( 3.75686 -0.00322493 1.23568e-05 -1.36896e-08 5.06935e-12 19563.8 4.51162 );
|
|
}
|
|
}
|
|
C4H4N2_PYRIMIDINE
|
|
{
|
|
specie
|
|
{
|
|
molWeight 80.0899;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 10.4317 0.016151 -5.92923e-06 9.71339e-10 -5.87497e-14 18552 -33.2492 );
|
|
lowCpCoeffs ( 1.63714 0.0119774 6.83832e-05 -1.0465e-07 4.42186e-11 22212.5 18.6564 );
|
|
}
|
|
}
|
|
C3Br3_Allene_Rad.
|
|
{
|
|
specie
|
|
{
|
|
molWeight 275.736;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.7776 0.00317066 -1.2129e-06 2.04022e-10 -1.25631e-14 49806.2 -27.2462 );
|
|
lowCpCoeffs ( 4.44061 0.040224 -6.97676e-05 6.00875e-08 -2.00577e-11 51506.2 12.6178 );
|
|
}
|
|
}
|
|
BiO
|
|
{
|
|
specie
|
|
{
|
|
molWeight 224.979;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.24658 0.000343584 -1.60538e-07 4.32266e-11 -3.40914e-15 13239.1 5.15097 );
|
|
lowCpCoeffs ( 2.80645 0.00579672 -8.15928e-06 5.34414e-09 -1.31859e-12 13556.7 12.2071 );
|
|
}
|
|
}
|
|
H2O+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 18.0148;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.3157 0.00210649 -3.76342e-07 3.47526e-11 -1.70336e-15 117017 4.03221 );
|
|
lowCpCoeffs ( 4.02466 -0.00108851 5.13577e-06 -4.40028e-09 1.40727e-12 116896 0.699969 );
|
|
}
|
|
}
|
|
Fe2Cl6
|
|
{
|
|
specie
|
|
{
|
|
molWeight 324.412;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 21.5645 0.000462349 -1.84952e-07 3.20143e-11 -2.01003e-15 -85243.2 -58.6538 );
|
|
lowCpCoeffs ( 14.2212 0.0435486 -9.6039e-05 9.37463e-08 -3.36052e-11 -84199.6 -25.9245 );
|
|
}
|
|
}
|
|
CHBr3_Bromoform
|
|
{
|
|
specie
|
|
{
|
|
molWeight 252.722;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 9.33702 0.00332595 -1.21194e-06 1.97617e-10 -1.19155e-14 2465.42 -15.0774 );
|
|
lowCpCoeffs ( 3.64745 0.0237779 -2.97515e-05 1.8275e-08 -4.31214e-12 3782.91 13.0919 );
|
|
}
|
|
}
|
|
BI2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 264.62;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.8046 3.31397e-05 4.93179e-08 -6.40588e-12 2.41421e-17 26473.2 -1.67821 );
|
|
lowCpCoeffs ( 3.3065 0.0158184 -2.88094e-05 2.45287e-08 -7.96353e-12 27157.1 14.9424 );
|
|
}
|
|
}
|
|
C2HClF_1,1-ClF
|
|
{
|
|
specie
|
|
{
|
|
molWeight 79.4817;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.50937 0.00401864 -1.45196e-06 2.35521e-10 -1.41529e-14 9200.8 -15.6314 );
|
|
lowCpCoeffs ( 0.765226 0.0363166 -5.6344e-05 4.42113e-08 -1.36517e-11 10826.9 21.7622 );
|
|
}
|
|
}
|
|
Mg2F4
|
|
{
|
|
specie
|
|
{
|
|
molWeight 124.618;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 14.7347 0.00132988 -5.2889e-07 9.11952e-11 -5.71049e-15 -211432 -44.5636 );
|
|
lowCpCoeffs ( 1.51049 0.0696575 -0.000139294 1.2747e-07 -4.37228e-11 -209218 16.3106 );
|
|
}
|
|
}
|
|
C6H2Cl3O_RAD
|
|
{
|
|
specie
|
|
{
|
|
molWeight 196.441;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 20.2799 0.0129195 -4.81871e-06 7.97954e-10 -4.863e-14 -11290.8 -74.5022 );
|
|
lowCpCoeffs ( 2.39931 0.0622029 -4.88719e-05 1.0352e-08 3.04768e-12 -6375.26 17.7969 );
|
|
}
|
|
}
|
|
I2O__I-I-O
|
|
{
|
|
specie
|
|
{
|
|
molWeight 269.808;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.67743 0.000335543 -1.32619e-07 2.27735e-11 -1.42199e-15 10748 1.43597 );
|
|
lowCpCoeffs ( 4.83415 0.00777523 -1.20332e-05 8.84997e-09 -2.52447e-12 11136.1 10.3679 );
|
|
}
|
|
}
|
|
N2H3___Rad.
|
|
{
|
|
specie
|
|
{
|
|
molWeight 31.0373;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.04484 0.0073113 -2.47626e-06 3.83733e-10 -2.23108e-14 25324.1 2.88423 );
|
|
lowCpCoeffs ( 3.42126 0.00134902 2.23459e-05 -2.99728e-08 1.20979e-11 25819.9 7.83176 );
|
|
}
|
|
}
|
|
BiF2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 246.977;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.50766 0.000514238 -2.03748e-07 3.50444e-11 -2.19064e-15 -26187.7 -2.76694 );
|
|
lowCpCoeffs ( 3.10494 0.0151822 -2.53454e-05 1.9977e-08 -6.06776e-12 -25510.8 13.5101 );
|
|
}
|
|
}
|
|
AlH3(a)_hexagonal
|
|
{
|
|
specie
|
|
{
|
|
molWeight 30.0054;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 500;
|
|
Tcommon 500;
|
|
highCpCoeffs 7 { 0 };
|
|
lowCpCoeffs ( 5.30118 -0.0646962 0.000425046 -9.15194e-07 6.70242e-10 -2339.03 -19.4325 );
|
|
}
|
|
}
|
|
C6H9_c_CyHexenyl-3
|
|
{
|
|
specie
|
|
{
|
|
molWeight 81.1386;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 11.3323 0.0281991 -1.01387e-05 1.63781e-09 -9.80946e-14 9615.55 -38.5483 );
|
|
lowCpCoeffs ( 2.161 0.0136944 9.99485e-05 -1.44517e-07 5.9646e-11 13933.5 18.0485 );
|
|
}
|
|
}
|
|
C9_linear_biradi
|
|
{
|
|
specie
|
|
{
|
|
molWeight 108.1;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 15.4084 0.00971208 -3.66425e-06 6.10786e-10 -3.73745e-14 182980 -49.2744 );
|
|
lowCpCoeffs ( 3.10628 0.0631969 -0.000105721 9.44171e-08 -3.29696e-11 185694 10.2137 );
|
|
}
|
|
}
|
|
P+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 30.9733;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.87696 -0.000537633 2.79242e-07 -5.09894e-11 3.16067e-15 159955 3.97098 );
|
|
lowCpCoeffs ( 4.66149 -0.00856159 1.43088e-05 -1.12248e-08 3.38686e-12 159622 -4.46829 );
|
|
}
|
|
}
|
|
CH3N3_MethylAzyd
|
|
{
|
|
specie
|
|
{
|
|
molWeight 57.0552;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.4128 0.0107449 -3.85726e-06 6.2234e-10 -3.72382e-14 32952 -6.94517 );
|
|
lowCpCoeffs ( 4.3796 0.00761069 1.69547e-05 -2.46175e-08 9.55803e-12 34005.8 5.84235 );
|
|
}
|
|
}
|
|
BBr
|
|
{
|
|
specie
|
|
{
|
|
molWeight 90.7119;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.06597 0.000687896 -3.58771e-07 8.22913e-11 -5.15004e-15 27696.7 3.59665 );
|
|
lowCpCoeffs ( 2.80394 0.00583922 -8.27761e-06 5.47461e-09 -1.36793e-12 27947.2 9.66576 );
|
|
}
|
|
}
|
|
C7H7_Cyheptatrien
|
|
{
|
|
specie
|
|
{
|
|
molWeight 91.1338;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 13.7839 0.0232923 -8.36543e-06 1.35064e-09 -8.08727e-14 27178 -48.5625 );
|
|
lowCpCoeffs ( 1.37723 0.0327433 4.58225e-05 -9.07722e-08 4.08097e-11 31649.1 21.08 );
|
|
}
|
|
}
|
|
MgH2(b)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 26.3279;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 600;
|
|
Tcommon 200;
|
|
highCpCoeffs 7 { 0 };
|
|
lowCpCoeffs ( -8.50214 0.111055 -0.000362718 5.34828e-07 -2.89676e-10 -9221.32 31.04 );
|
|
}
|
|
}
|
|
n-C20H42_Eicosane
|
|
{
|
|
specie
|
|
{
|
|
molWeight 282.558;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 59.5167 0.0961907 -3.76148e-05 6.96058e-09 -4.86108e-13 -83363.4 -268.949 );
|
|
lowCpCoeffs ( 29.6626 -0.0261774 0.000573787 -7.54416e-07 3.0171e-10 -66221.2 -67.8139 );
|
|
}
|
|
}
|
|
FeS(a)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 87.911;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 411;
|
|
Tcommon 411;
|
|
highCpCoeffs 7 { 0 };
|
|
lowCpCoeffs ( 0.633577 0.00635867 0.000285263 -1.41434e-06 1.98385e-09 -13114 -2.35495 );
|
|
}
|
|
}
|
|
RDX_Solid_293-47
|
|
{
|
|
specie
|
|
{
|
|
molWeight 222.118;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 293;
|
|
Thigh 478.5;
|
|
Tcommon 293;
|
|
highCpCoeffs 7 { 0 };
|
|
lowCpCoeffs ( -226.956 2.1062 -0.00638009 8.94181e-06 -4.63002e-09 24446 910.133 );
|
|
}
|
|
}
|
|
I
|
|
{
|
|
specie
|
|
{
|
|
molWeight 126.904;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.61668 -0.00026601 1.8606e-07 -3.81927e-11 2.52036e-15 12058.3 6.87897 );
|
|
lowCpCoeffs ( 2.50042 -4.48047e-06 1.69963e-08 -2.67708e-11 1.48927e-14 12094.8 7.49817 );
|
|
}
|
|
}
|
|
C2H5O__CH3-O-CH2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 45.0616;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.94068 0.0129906 -4.56921e-06 7.26889e-10 -4.306e-14 -2585.04 -4.52842 );
|
|
lowCpCoeffs ( 4.53195 0.00781884 1.94969e-05 -2.74538e-08 1.06521e-11 -1706.29 5.06123 );
|
|
}
|
|
}
|
|
C8H12_3,6-Dimeth
|
|
{
|
|
specie
|
|
{
|
|
molWeight 108.185;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 14.8772 0.0373682 -1.34004e-05 2.16081e-09 -1.29251e-13 -1587.38 -57.3509 );
|
|
lowCpCoeffs ( 3.35348 0.0295908 8.59569e-05 -1.33332e-07 5.53072e-11 3491.85 11.6563 );
|
|
}
|
|
}
|
|
CCl2F-CHF2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 152.931;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 15.5611 0.00609997 -2.48136e-06 4.31724e-10 -2.71382e-14 -91251.6 -48.8922 );
|
|
lowCpCoeffs ( 3.6074 0.0393692 -3.46985e-05 1.16054e-08 -2.99205e-13 -87932.5 12.8638 );
|
|
}
|
|
}
|
|
C4H8S2_1,4_Dithi
|
|
{
|
|
specie
|
|
{
|
|
molWeight 120.236;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 13.6036 0.0238172 -8.63456e-06 1.40244e-09 -8.43097e-14 -4066.99 -48.4024 );
|
|
lowCpCoeffs ( 1.50685 0.0327456 4.42732e-05 -8.78681e-08 3.94467e-11 341.027 19.6507 );
|
|
}
|
|
}
|
|
C6H5OO_peroxy_rad
|
|
{
|
|
specie
|
|
{
|
|
molWeight 109.106;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 15.321 0.0190636 -6.9089e-06 1.12266e-09 -6.75533e-14 10119.3 -55.4642 );
|
|
lowCpCoeffs ( 0.621315 0.0387686 2.99477e-05 -7.77125e-08 3.69056e-11 14995 24.9794 );
|
|
}
|
|
}
|
|
CH3OO-__anion
|
|
{
|
|
specie
|
|
{
|
|
molWeight 47.0344;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.64681 0.00939225 -3.41587e-06 5.55908e-10 -3.34625e-14 -15363.8 -4.73434 );
|
|
lowCpCoeffs ( 3.22141 0.007875 1.41826e-05 -2.13721e-08 8.23868e-12 -14218.4 9.97907 );
|
|
}
|
|
}
|
|
CH3-CHBr2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 187.856;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 10.4285 0.00915468 -3.33554e-06 5.43422e-10 -3.27093e-14 -8570.23 -24.2749 );
|
|
lowCpCoeffs ( 3.81695 0.0183494 1.1021e-05 -3.12896e-08 1.48605e-11 -6362.01 11.9104 );
|
|
}
|
|
}
|
|
H3O+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 19.0228;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.49648 0.00572845 -1.83953e-06 2.73577e-10 -1.54094e-14 71624.4 7.4585 );
|
|
lowCpCoeffs ( 3.79295 -0.000910853 1.16364e-05 -1.21365e-08 4.2616e-12 71402.8 1.47157 );
|
|
}
|
|
}
|
|
C3HBr2*1,1-Radical
|
|
{
|
|
specie
|
|
{
|
|
molWeight 196.843;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 11.2263 0.00419018 -1.49485e-06 2.40421e-10 -1.4362e-14 45024.6 -23.3204 );
|
|
lowCpCoeffs ( 2.82157 0.0442975 -7.89598e-05 6.92628e-08 -2.32744e-11 46593.7 16.1702 );
|
|
}
|
|
}
|
|
C2Br2F4__CBrF2-C
|
|
{
|
|
specie
|
|
{
|
|
molWeight 259.818;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 16.9829 0.00517137 -2.15465e-06 3.74965e-10 -2.3443e-14 -105013 -53.6194 );
|
|
lowCpCoeffs ( 3.8346 0.05327 -7.33614e-05 5.07597e-08 -1.41517e-11 -101949 11.4477 );
|
|
}
|
|
}
|
|
C7H8O_CRESOL
|
|
{
|
|
specie
|
|
{
|
|
molWeight 108.141;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 15.933 0.0270112 -9.94487e-06 1.62967e-09 -9.85133e-14 -23592.1 -59.7328 );
|
|
lowCpCoeffs ( 0.422583 0.0455516 3.20125e-05 -8.1122e-08 3.76657e-11 -18202.6 26.0329 );
|
|
}
|
|
}
|
|
FO3F
|
|
{
|
|
specie
|
|
{
|
|
molWeight 85.995;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 11.0658 0.00200169 -7.88709e-07 1.3517e-10 -8.4286e-15 9558.95 -28.1136 );
|
|
lowCpCoeffs ( 2.43119 0.0334551 -4.50148e-05 2.82457e-08 -6.71172e-12 11521.9 14.4972 );
|
|
}
|
|
}
|
|
CH3Br+_cation
|
|
{
|
|
specie
|
|
{
|
|
molWeight 94.9354;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.91773 0.00690661 -2.41281e-06 3.8197e-10 -2.25466e-14 116803 -0.295629 );
|
|
lowCpCoeffs ( 2.40231 0.0144781 -1.11524e-05 4.83293e-09 -7.90042e-13 117487 12.5867 );
|
|
}
|
|
}
|
|
C3H6O__C2H3-O-CH3
|
|
{
|
|
specie
|
|
{
|
|
molWeight 58.0807;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 7.36862 0.017058 -6.02453e-06 9.59231e-10 -5.68713e-14 -15671.4 -11.2908 );
|
|
lowCpCoeffs ( 5.33259 0.00155081 5.7704e-05 -7.46374e-08 2.93544e-11 -14107.7 4.26256 );
|
|
}
|
|
}
|
|
Ca+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 40.0795;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.64221 -0.000160517 -2.70844e-08 5.13522e-11 -5.96487e-15 92259.6 4.25373 );
|
|
lowCpCoeffs ( 2.5 0 0 0 0 92324.2 5.07768 );
|
|
}
|
|
}
|
|
FeCl2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 126.753;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.73555 0.000941898 -1.9101e-07 5.37001e-12 9.11511e-16 -18963.1 -2.57815 );
|
|
lowCpCoeffs ( 4.37788 0.0159614 -3.32185e-05 3.11439e-08 -1.07719e-11 -18736.1 7.51602 );
|
|
}
|
|
}
|
|
C12H8_Acenaphtyl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 152.198;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 21.5562 0.0331445 -1.20903e-05 1.97279e-09 -1.19008e-13 20718.7 -97.6752 );
|
|
lowCpCoeffs ( -2.14922 0.0589101 6.42492e-05 -1.41294e-07 6.47477e-11 28938 33.6791 );
|
|
}
|
|
}
|
|
PF3Cl2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 158.875;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 14.0512 0.00203073 -8.03489e-07 1.3808e-10 -8.62643e-15 -139689 -41.414 );
|
|
lowCpCoeffs ( 0.341258 0.0650265 -0.000116936 9.91811e-08 -3.22054e-11 -137087 23.3961 );
|
|
}
|
|
}
|
|
Mg2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 48.624;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.62834 -0.000120942 4.03845e-08 -5.81807e-12 3.90678e-16 32515.5 14.1117 );
|
|
lowCpCoeffs ( 5.91284 -0.0199478 4.49411e-05 -4.43919e-08 1.60281e-11 32068.5 -0.411942 );
|
|
}
|
|
}
|
|
O2_singlet
|
|
{
|
|
specie
|
|
{
|
|
molWeight 31.9988;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.45852 0.00104045 -2.79664e-07 3.1144e-11 -8.55656e-16 10222.9 4.15264 );
|
|
lowCpCoeffs ( 3.78535 -0.00321929 1.12323e-05 -1.17254e-08 4.1766e-12 10292.3 3.2732 );
|
|
}
|
|
}
|
|
AlF+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 45.9794;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.06883 0.00188081 -5.19128e-07 5.25733e-11 -1.39704e-15 82355.1 8.62863 );
|
|
lowCpCoeffs ( 2.75221 0.00462969 -5.00475e-06 2.29949e-09 -1.94945e-13 82269.5 9.60912 );
|
|
}
|
|
}
|
|
B2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 21.622;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.71993 0.000185777 5.1724e-08 -1.59125e-11 9.87161e-16 101527 -3.07351 );
|
|
lowCpCoeffs ( 3.82906 -0.0061384 3.03991e-05 -3.9207e-08 1.60597e-11 102050 3.27983 );
|
|
}
|
|
}
|
|
C6H4ClO_o-Cl-pheno
|
|
{
|
|
specie
|
|
{
|
|
molWeight 127.551;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 15.3868 0.0169351 -6.18032e-06 1.00884e-09 -6.08772e-14 -3051.14 -54.3107 );
|
|
lowCpCoeffs ( 0.957405 0.0420335 8.56568e-06 -4.98052e-08 2.53381e-11 1537.39 23.4806 );
|
|
}
|
|
}
|
|
HPO2__HOPO
|
|
{
|
|
specie
|
|
{
|
|
molWeight 63.9806;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 7.24521 0.00190475 -6.66701e-07 1.06215e-10 -6.31479e-15 -58946.3 -10.1465 );
|
|
lowCpCoeffs ( 2.24034 0.0147954 -7.32116e-06 -6.11255e-09 4.98114e-12 -57611.4 15.6886 );
|
|
}
|
|
}
|
|
CNO
|
|
{
|
|
specie
|
|
{
|
|
molWeight 42.0173;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.33614 0.00211236 -8.03845e-07 1.34732e-10 -8.27527e-15 45059.1 -3.58482 );
|
|
lowCpCoeffs ( 3.24203 0.00960221 -1.36429e-05 1.18397e-08 -4.26992e-12 45614.1 6.97423 );
|
|
}
|
|
}
|
|
SB(l)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 0;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 904;
|
|
Thigh 1891;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.74764 7.77485 -8.31209e-08 3.86361e-11 -6.61472e-15 990.188 -13.8262 );
|
|
lowCpCoeffs ( 3.74764 7.77485e-05 -8.31209e-08 3.86361e-11 -6.61472e-15 990.188 -13.8262 );
|
|
}
|
|
}
|
|
CH3Br
|
|
{
|
|
specie
|
|
{
|
|
molWeight 94.936;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.14294 0.00761097 -2.67015e-06 4.24036e-10 -2.50884e-14 -6205.46 3.21433 );
|
|
lowCpCoeffs ( 3.61367 -0.00088654 2.94669e-05 -3.76504e-08 1.4939e-11 -5614.02 8.24979 );
|
|
}
|
|
}
|
|
DO2-
|
|
{
|
|
specie
|
|
{
|
|
molWeight 34.0134;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.29045 0.00250134 -9.19563e-07 1.50698e-10 -9.11413e-15 -14134.7 1.92013 );
|
|
lowCpCoeffs ( 3.09615 0.00431724 2.64924e-07 -3.17447e-09 1.50997e-12 -13715.7 8.49052 );
|
|
}
|
|
}
|
|
CH4-__Anion
|
|
{
|
|
specie
|
|
{
|
|
molWeight 16.0436;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.85058 0.00781454 -2.94109e-06 4.89402e-10 -2.99099e-14 -2632.37 -7.34836 );
|
|
lowCpCoeffs ( 2.78247 0.00519716 1.40783e-05 -1.82788e-08 6.40436e-12 -1523.51 5.69282 );
|
|
}
|
|
}
|
|
BH5
|
|
{
|
|
specie
|
|
{
|
|
molWeight 15.8509;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.63001 0.00925919 -3.33357e-06 5.38883e-10 -3.22871e-14 6795.02 -8.08437 );
|
|
lowCpCoeffs ( 4.13394 0.000485359 3.51963e-05 -4.62279e-08 1.84744e-11 7825.04 2.72122 );
|
|
}
|
|
}
|
|
C3F4__PerFAllene
|
|
{
|
|
specie
|
|
{
|
|
molWeight 112.027;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 13.1232 0.00583383 -2.24316e-06 3.78529e-10 -2.33581e-14 -71479 -37.6087 );
|
|
lowCpCoeffs ( 2.39178 0.0414799 -4.99529e-05 3.11694e-08 -8.01916e-12 -68765.9 16.4655 );
|
|
}
|
|
}
|
|
C2F
|
|
{
|
|
specie
|
|
{
|
|
molWeight 43.0207;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.26094 0.0021458 -8.0751e-07 1.3438e-10 -8.21353e-15 40746.8 -3.14255 );
|
|
lowCpCoeffs ( 2.70218 0.0127932 -2.04432e-05 1.78526e-08 -6.17934e-12 41331.8 9.33996 );
|
|
}
|
|
}
|
|
C16H33_Hexadecyl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 225.441;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 39.8439 0.0875343 -3.29289e-05 5.80688e-09 -3.88795e-13 -42191.2 -163.931 );
|
|
lowCpCoeffs ( 6.75173 0.122108 4.28435e-05 -1.2798e-07 5.58389e-11 -29442 22.7406 );
|
|
}
|
|
}
|
|
BENZOTRIFUROXAN
|
|
{
|
|
specie
|
|
{
|
|
molWeight 252.103;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 32.5028 0.019652 -7.62353e-06 1.29361e-09 -8.01216e-14 -13344.2 -147.194 );
|
|
lowCpCoeffs ( -0.843435 0.103344 -6.4204e-05 -7.99732e-09 1.54459e-11 -3766.08 26.968 );
|
|
}
|
|
}
|
|
CHI2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 266.828;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 7.24049 0.00238505 -8.40507e-07 1.33931e-10 -7.94457e-15 32528 -7.00141 );
|
|
lowCpCoeffs ( 3.63066 0.0178148 -2.70215e-05 2.06196e-08 -6.13249e-12 33253.5 10.2978 );
|
|
}
|
|
}
|
|
C4H2N2__Fumaroni
|
|
{
|
|
specie
|
|
{
|
|
molWeight 78.0739;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 10.261 0.0105849 -3.83687e-06 6.23219e-10 -3.74698e-14 35697.6 -25.6899 );
|
|
lowCpCoeffs ( 3.08972 0.0301706 -2.22304e-05 6.22606e-09 3.38799e-13 37731.2 11.4968 );
|
|
}
|
|
}
|
|
O-CHLOROPHENYL
|
|
{
|
|
specie
|
|
{
|
|
molWeight 111.552;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 14.4384 0.0152001 -5.57439e-06 9.12463e-10 -5.51405e-14 30200.1 -49.9704 );
|
|
lowCpCoeffs ( 0.16188 0.0430727 4.84191e-07 -4.13968e-08 2.25996e-11 34567.2 26.1861 );
|
|
}
|
|
}
|
|
CD3_Methyl-D3
|
|
{
|
|
specie
|
|
{
|
|
molWeight 18.0535;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.27317 0.00531056 -1.95678e-06 3.21064e-10 -1.94299e-14 14989 -1.37287 );
|
|
lowCpCoeffs ( 3.37702 0.00553123 6.8409e-07 -2.45105e-09 7.87291e-13 15426.2 3.99875 );
|
|
}
|
|
}
|
|
C9H12__1-3-5-TMB
|
|
{
|
|
specie
|
|
{
|
|
molWeight 120.196;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 16.7073 0.0398877 -1.54374e-05 2.7705e-09 -1.87953e-13 -10990.7 -65.4478 );
|
|
lowCpCoeffs ( 3.70646 0.030405 9.36818e-05 -1.42836e-07 5.85223e-11 -4961.87 13.14 );
|
|
}
|
|
}
|
|
C20H14_Alpha_BiN
|
|
{
|
|
specie
|
|
{
|
|
molWeight 254.335;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 35.8199 0.0606682 -2.37958e-05 4.28903e-09 -2.91235e-13 20329.1 -169.216 );
|
|
lowCpCoeffs ( 4.49754 0.0808521 0.000108136 -2.08403e-07 9.16304e-11 32370.9 8.91761 );
|
|
}
|
|
}
|
|
C2N2_Dicyanogen
|
|
{
|
|
specie
|
|
{
|
|
molWeight 52.0357;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.7055 0.00364271 -1.3094e-06 2.16421e-10 -1.31194e-14 34882.4 -10.4803 );
|
|
lowCpCoeffs ( 2.32928 0.0261541 -4.9001e-05 4.61923e-08 -1.64326e-11 35690.1 9.86348 );
|
|
}
|
|
}
|
|
H3B3O6
|
|
{
|
|
specie
|
|
{
|
|
molWeight 131.453;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 19.3423 0.0129459 -4.64506e-06 7.50541e-10 -4.49972e-14 -279861 -73.6162 );
|
|
lowCpCoeffs ( -0.498539 0.0757351 -7.72835e-05 3.51447e-08 -4.74911e-12 -274859 26.6806 );
|
|
}
|
|
}
|
|
N
|
|
{
|
|
specie
|
|
{
|
|
molWeight 14.0067;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.41594 0.000174891 -1.19024e-07 3.02262e-11 -2.0361e-15 56133.8 4.64961 );
|
|
lowCpCoeffs ( 2.5 0 0 0 0 56104.6 4.19391 );
|
|
}
|
|
}
|
|
NO2F
|
|
{
|
|
specie
|
|
{
|
|
molWeight 65.0039;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 7.03995 0.00296958 -1.14421e-06 1.93645e-10 -1.19726e-14 -15731.6 -10.6881 );
|
|
lowCpCoeffs ( 1.87814 0.017625 -1.53998e-05 4.76061e-09 1.82947e-13 -14326.4 15.8697 );
|
|
}
|
|
}
|
|
CO2-
|
|
{
|
|
specie
|
|
{
|
|
molWeight 44.0105;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.28311 0.00221659 -8.55733e-07 1.44757e-10 -8.94681e-15 -43536.5 -4.76108 );
|
|
lowCpCoeffs ( 2.49677 0.00870769 -4.87281e-06 -4.90572e-10 9.38694e-13 -42687.4 9.97856 );
|
|
}
|
|
}
|
|
PCl3
|
|
{
|
|
specie
|
|
{
|
|
molWeight 137.333;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 9.44554 0.00058446 -2.32838e-07 4.01929e-11 -2.51877e-15 -37797.6 -16.8354 );
|
|
lowCpCoeffs ( 2.99196 0.0346886 -7.06197e-05 6.53603e-08 -2.25864e-11 -36747.1 12.7062 );
|
|
}
|
|
}
|
|
Na2O2(a)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 77.9784;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 300;
|
|
Thigh 785;
|
|
Tcommon 785;
|
|
highCpCoeffs ( 4.58153 0.0324559 -5.11542e-05 4.2664e-08 -1.39916e-11 -64161.1 -22.4555 );
|
|
lowCpCoeffs ( 4.58153 0.0324559 -5.11542e-05 4.2664e-08 -1.39916e-11 -64161.1 -22.4555 );
|
|
}
|
|
}
|
|
C2D_Ethynyl-D1
|
|
{
|
|
specie
|
|
{
|
|
molWeight 26.0364;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.77413 0.004088 -1.53159e-06 2.46785e-10 -1.45659e-14 66840 3.82404 );
|
|
lowCpCoeffs ( 3.70505 0.00927868 -1.98984e-05 2.22791e-08 -8.80171e-12 66685.4 3.14659 );
|
|
}
|
|
}
|
|
Zn(L)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 65.37;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 692.73;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.77653 0 0 0 0 -431.695 -15.6708 );
|
|
lowCpCoeffs ( 3.77653 0 0 0 0 -431.695 -15.6708 );
|
|
}
|
|
}
|
|
GeH3Cl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 111.067;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 7.05171 0.00569806 -2.14368e-06 3.5666e-10 -2.17964e-14 4172.58 -10.6065 );
|
|
lowCpCoeffs ( 1.12153 0.0260156 -3.16506e-05 2.16972e-08 -6.24283e-12 5688.68 19.2354 );
|
|
}
|
|
}
|
|
BrS
|
|
{
|
|
specie
|
|
{
|
|
molWeight 111.965;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.37198 0.00014341 -5.38124e-08 9.29139e-12 -5.82359e-16 16518.4 4.40039 );
|
|
lowCpCoeffs ( 2.86958 0.00805605 -1.63293e-05 1.50682e-08 -5.19433e-12 16763.7 11.2824 );
|
|
}
|
|
}
|
|
C9H18O2_Nonanoic
|
|
{
|
|
specie
|
|
{
|
|
molWeight 158.243;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 22.3619 0.0539676 -1.95045e-05 3.15611e-09 -1.89116e-13 -80804.8 -87.1865 );
|
|
lowCpCoeffs ( 10.9575 0.00329728 0.000221446 -2.92211e-07 1.16303e-10 -73838.4 -8.8795 );
|
|
}
|
|
}
|
|
P2O5
|
|
{
|
|
specie
|
|
{
|
|
molWeight 141.945;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 14.7929 0.00425973 -1.65698e-06 2.81669e-10 -1.7467e-14 -140441 -42.8495 );
|
|
lowCpCoeffs ( 3.5995 0.0479945 -7.40381e-05 5.8957e-08 -1.88529e-11 -137890 12.0783 );
|
|
}
|
|
}
|
|
MoC__Solid-C
|
|
{
|
|
specie
|
|
{
|
|
molWeight 107.951;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 1400;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 1.95689 0.00745582 -4.92462e-06 1.16732e-09 5.691e-14 -4305.69 -8.78043 );
|
|
lowCpCoeffs ( 1.75407 0.0081761 -5.89254e-06 1.74969e-09 -7.50126e-14 -4259.59 -7.77691 );
|
|
}
|
|
}
|
|
CF
|
|
{
|
|
specie
|
|
{
|
|
molWeight 31.0096;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.74644 0.000801632 -2.95064e-07 5.03804e-11 -3.08738e-15 28455.5 3.84192 );
|
|
lowCpCoeffs ( 3.99599 -0.00462546 1.58271e-05 -1.73528e-08 6.45554e-12 28604.5 3.67055 );
|
|
}
|
|
}
|
|
C4H9_isobutyl_rad
|
|
{
|
|
specie
|
|
{
|
|
molWeight 57.1163;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 9.61251 0.0228582 -8.06391e-06 1.28557e-09 -7.62731e-14 4152.19 -26.6485 );
|
|
lowCpCoeffs ( 3.34477 0.023187 3.28261e-05 -5.96399e-08 2.58981e-11 6662.01 9.6886 );
|
|
}
|
|
}
|
|
CH3C-_triradical
|
|
{
|
|
specie
|
|
{
|
|
molWeight 27.0468;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.91545 0.00760115 -2.82733e-06 4.66971e-10 -2.83959e-14 51706.8 -4.56583 );
|
|
lowCpCoeffs ( 3.01256 0.00343425 1.93099e-05 -2.46399e-08 9.01103e-12 52782.9 7.78626 );
|
|
}
|
|
}
|
|
CF3
|
|
{
|
|
specie
|
|
{
|
|
molWeight 69.0063;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 7.42982 0.00261729 -1.02142e-06 1.73976e-10 -1.08028e-14 -58981.8 -12.2817 );
|
|
lowCpCoeffs ( 2.38179 0.013727 -3.47675e-06 -9.01697e-09 5.57384e-12 -57489.3 14.3743 );
|
|
}
|
|
}
|
|
CH2N2_H2N-CN
|
|
{
|
|
specie
|
|
{
|
|
molWeight 42.0405;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.34124 0.00632803 -2.16285e-06 3.37451e-10 -1.97201e-14 14145.5 -3.51782 );
|
|
lowCpCoeffs ( 2.52226 0.0163678 -1.69373e-05 1.085e-08 -2.97871e-12 14833 10.538 );
|
|
}
|
|
}
|
|
C12H4Cl4O_2468
|
|
{
|
|
specie
|
|
{
|
|
molWeight 305.977;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 33.7653 0.025909 -9.71934e-06 1.61508e-09 -9.86494e-14 -20949.9 -146.904 );
|
|
lowCpCoeffs ( 1.21278 0.103028 -4.71999e-05 -3.02796e-08 2.47103e-11 -11451.4 24.0114 );
|
|
}
|
|
}
|
|
F2H-____FHF-
|
|
{
|
|
specie
|
|
{
|
|
molWeight 39.0053;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.26721 0.00174849 -6.78594e-07 1.15171e-10 -7.13389e-15 -88521.3 -3.44982 );
|
|
lowCpCoeffs ( 3.32548 0.00415755 3.33684e-06 -7.76225e-09 3.38752e-12 -87832.1 7.32348 );
|
|
}
|
|
}
|
|
C6H3Cl3O_TriClPhen
|
|
{
|
|
specie
|
|
{
|
|
molWeight 197.449;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 20.0548 0.014869 -5.4134e-06 8.82942e-10 -5.32712e-14 -30741.5 -73.8666 );
|
|
lowCpCoeffs ( 1.04736 0.0713669 -6.6373e-05 2.75555e-08 -3.25678e-12 -25690.6 23.324 );
|
|
}
|
|
}
|
|
SiC
|
|
{
|
|
specie
|
|
{
|
|
molWeight 40.0971;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.60569 0.00108998 -2.65566e-07 2.83965e-11 -1.14699e-15 87251.8 6.29352 );
|
|
lowCpCoeffs ( 3.6187 -0.00169837 1.05446e-05 -1.36592e-08 5.65166e-12 87320.9 6.73629 );
|
|
}
|
|
}
|
|
SbOH_tripet
|
|
{
|
|
specie
|
|
{
|
|
molWeight 138.757;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.82891 0.00156854 -4.81027e-07 6.89212e-11 -3.76762e-15 1020 3.60881 );
|
|
lowCpCoeffs ( 2.76675 0.0107148 -1.51889e-05 1.01969e-08 -2.508e-12 1380.48 13.3114 );
|
|
}
|
|
}
|
|
N2O
|
|
{
|
|
specie
|
|
{
|
|
molWeight 44.0128;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.82307 0.00262703 -9.58509e-07 1.60007e-10 -9.77523e-15 8073.4 -2.20172 );
|
|
lowCpCoeffs ( 2.25715 0.0113047 -1.36713e-05 9.68198e-09 -2.93072e-12 8741.77 10.758 );
|
|
}
|
|
}
|
|
Tetryl_Solid_Yin
|
|
{
|
|
specie
|
|
{
|
|
molWeight 287.147;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 290;
|
|
Thigh 401.5;
|
|
Tcommon 401.5;
|
|
highCpCoeffs 7 { 0 };
|
|
lowCpCoeffs ( -2536.79 29.7271 -0.128542 0.000245677 -1.74152e-07 172332 9517.08 );
|
|
}
|
|
}
|
|
C8H18,isooctane
|
|
{
|
|
specie
|
|
{
|
|
molWeight 114.233;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 17.6161 0.0513323 -1.65307e-05 2.43232e-09 -1.35573e-13 -36346.1 -68.6446 );
|
|
lowCpCoeffs ( 0.815741 0.0732647 1.78302e-05 -6.93593e-08 3.21631e-11 -30477.4 24.1511 );
|
|
}
|
|
}
|
|
C5H10__2-Pentene
|
|
{
|
|
specie
|
|
{
|
|
molWeight 70.1355;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.93261 0.0289903 -1.06342e-05 1.73466e-09 -1.04436e-13 -8783.36 -17.3701 );
|
|
lowCpCoeffs ( 9.62243 -0.0231903 0.000152217 -1.75856e-07 6.61253e-11 -6515.04 -8.74099 );
|
|
}
|
|
}
|
|
C6_linear_biradi
|
|
{
|
|
specie
|
|
{
|
|
molWeight 72.0669;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 10.6841 0.00562944 -2.13153e-06 3.56134e-10 -2.18273e-14 143742 -28.7959 );
|
|
lowCpCoeffs ( 3.0695 0.0371386 -5.95699e-05 5.15924e-08 -1.77143e-11 145477 8.35845 );
|
|
}
|
|
}
|
|
s-1,2-C7H5NS1,2-Be
|
|
{
|
|
specie
|
|
{
|
|
molWeight 135.189;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 16.6088 0.0213053 -7.77998e-06 1.27044e-09 -7.6681e-14 18609.3 -64.2752 );
|
|
lowCpCoeffs ( -0.713372 0.0480098 2.17086e-05 -7.35158e-08 3.58387e-11 24263.2 29.8831 );
|
|
}
|
|
}
|
|
C8H_linear
|
|
{
|
|
specie
|
|
{
|
|
molWeight 97.0972;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 15.4383 0.0092439 -3.39125e-06 5.55261e-10 -3.35697e-14 142424 -49.1897 );
|
|
lowCpCoeffs ( 1.00475 0.0810704 -0.000150045 1.37958e-07 -4.81751e-11 145107 18.2487 );
|
|
}
|
|
}
|
|
CH3OH-_anion
|
|
{
|
|
specie
|
|
{
|
|
molWeight 32.043;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.42445 0.00838811 -3.08576e-06 5.05898e-10 -3.06045e-14 2078.74 -2.44395 );
|
|
lowCpCoeffs ( 5.16818 0.0039314 1.57067e-05 -1.95119e-08 6.90765e-12 2916 6.23256 );
|
|
}
|
|
}
|
|
CF3O_Radical
|
|
{
|
|
specie
|
|
{
|
|
molWeight 85.0057;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 9.76423 0.00330092 -1.28962e-06 2.19816e-10 -1.3656e-14 -79477.1 -23.7694 );
|
|
lowCpCoeffs ( 1.82041 0.0265327 -2.45067e-05 7.86172e-09 2.73541e-13 -77378.1 16.8622 );
|
|
}
|
|
}
|
|
C5H10O2_Peroxy-en
|
|
{
|
|
specie
|
|
{
|
|
molWeight 102.134;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 14.3428 0.0294878 -1.04849e-05 1.67784e-09 -9.97972e-14 -18865.8 -45.9795 );
|
|
lowCpCoeffs ( 6.75236 0.0126535 9.6101e-05 -1.36272e-07 5.56891e-11 -15057.1 2.0311 );
|
|
}
|
|
}
|
|
SO3
|
|
{
|
|
specie
|
|
{
|
|
molWeight 80.0622;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 7.29678 0.00273576 -1.06378e-06 1.80776e-10 -1.12078e-14 -50309.7 -12.4247 );
|
|
lowCpCoeffs ( 2.37461 0.0159543 -1.26323e-05 2.81827e-09 6.23372e-13 -48926.9 13.1043 );
|
|
}
|
|
}
|
|
F2-
|
|
{
|
|
specie
|
|
{
|
|
molWeight 37.9973;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.41827 0.000122246 -3.47684e-08 6.02233e-12 -3.78321e-16 -37329.4 0.975014 );
|
|
lowCpCoeffs ( 3.48784 0.00458228 -8.37281e-06 7.07198e-09 -2.2579e-12 -37164.7 5.32024 );
|
|
}
|
|
}
|
|
C2H4O_vinyl_alco
|
|
{
|
|
specie
|
|
{
|
|
molWeight 44.0536;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 7.49818 0.0103957 -3.66891e-06 5.85206e-10 -3.47374e-14 -18164.3 -13.8388 );
|
|
lowCpCoeffs ( 2.28758 0.0197013 1.96383e-06 -1.9439e-08 1.02617e-11 -16537.3 14.1333 );
|
|
}
|
|
}
|
|
H2O2(L)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 34.0147;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 272.74;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 10.7427 1.64789e-06 -7.92452e-10 1.53611e-13 -1.04359e-17 -25787.1 -48.0251 );
|
|
lowCpCoeffs ( 10.7394 2.99631e-05 -7.1321e-08 7.09752e-11 -2.53463e-14 -25787.1 -48.0129 );
|
|
}
|
|
}
|
|
C3Cl3_triClallene
|
|
{
|
|
specie
|
|
{
|
|
molWeight 142.392;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.588 0.00335556 -1.28321e-06 2.158e-10 -1.32862e-14 33164.7 -28.7808 );
|
|
lowCpCoeffs ( 4.42853 0.0385067 -6.47738e-05 5.48501e-08 -1.81487e-11 34880.7 10.4992 );
|
|
}
|
|
}
|
|
PH2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 32.9897;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.21774 0.00349543 -1.2998e-06 2.17195e-10 -1.3249e-14 15131.7 6.15416 );
|
|
lowCpCoeffs ( 4.16964 -0.0024583 1.00971e-05 -8.7832e-09 2.59205e-12 15086.7 2.1827 );
|
|
}
|
|
}
|
|
C5H6_1-ene-3yne,
|
|
{
|
|
specie
|
|
{
|
|
molWeight 66.1036;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 10.4214 0.01802 -6.50852e-06 1.05436e-09 -6.32663e-14 25750.9 -29.8531 );
|
|
lowCpCoeffs ( 2.08152 0.0325806 -1.81841e-06 -2.08318e-08 1.09121e-11 28523.6 15.4027 );
|
|
}
|
|
}
|
|
C9H19_n-nonyl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 127.252;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 21.0145 0.0518616 -1.89953e-05 3.11574e-09 -1.88329e-13 -15080.9 -76.0093 );
|
|
lowCpCoeffs ( 13.331 -0.00235844 0.000215714 -2.81627e-07 1.11748e-10 -9725.51 -19.1379 );
|
|
}
|
|
}
|
|
NiO(liq)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 74.7094;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 2228;
|
|
Thigh 2500;
|
|
Tcommon 2228;
|
|
highCpCoeffs ( 3390.23 -4.2325 0.00176228 -2.44273e-07 0 -2.05395e+06 -20160.9 );
|
|
lowCpCoeffs 7 { 0 };
|
|
}
|
|
}
|
|
S-C5H11_1m-butyl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 71.1434;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 10.5838 0.0311019 -1.1715e-05 2.05729e-09 -1.37199e-13 -180.356 -27.2603 );
|
|
lowCpCoeffs ( 7.53835 0.00711191 7.97982e-05 -1.00325e-07 3.76603e-11 2391.84 -3.31129 );
|
|
}
|
|
}
|
|
s-1,2-C2H2F2-cis
|
|
{
|
|
specie
|
|
{
|
|
molWeight 64.035;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 7.64663 0.00755623 -2.746e-06 4.46891e-10 -2.69076e-14 -40030.2 -14.6983 );
|
|
lowCpCoeffs ( 2.69825 0.0123878 1.53769e-05 -3.23558e-08 1.47697e-11 -38297.2 12.826 );
|
|
}
|
|
}
|
|
B
|
|
{
|
|
specie
|
|
{
|
|
molWeight 10.811;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.49778 2.78535e-06 3.94722e-10 -1.06041e-12 2.33488e-16 67209.3 4.22344 );
|
|
lowCpCoeffs ( 2.51055 -6.20421e-05 1.40066e-07 -1.38303e-10 4.98656e-14 67206.7 4.16358 );
|
|
}
|
|
}
|
|
C2H2F4_1,1,2,2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 102.032;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 11.9961 0.00898721 -3.36363e-06 5.54e-10 -3.35655e-14 -111107 -35.3416 );
|
|
lowCpCoeffs ( 3.98924 0.0172572 2.36854e-05 -4.89143e-08 2.21226e-11 -108315 9.12365 );
|
|
}
|
|
}
|
|
C9H__linear
|
|
{
|
|
specie
|
|
{
|
|
molWeight 109.108;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 17.6323 0.0100492 -3.70215e-06 6.07865e-10 -3.68217e-14 151245 -59.1873 );
|
|
lowCpCoeffs ( 1.22881 0.0892842 -0.000161989 1.46938e-07 -5.09107e-11 154386 17.9743 );
|
|
}
|
|
}
|
|
C18H34O3_RicinOlei
|
|
{
|
|
specie
|
|
{
|
|
molWeight 298.47;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 41.7395 0.105372 -3.79491e-05 6.13392e-09 -3.67444e-13 -120678 -186.693 );
|
|
lowCpCoeffs ( 20.4298 0.00415961 0.000432105 -5.6652e-07 2.24755e-10 -107308 -38.7011 );
|
|
}
|
|
}
|
|
P
|
|
{
|
|
specie
|
|
{
|
|
molWeight 30.9738;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.84887 -0.000601833 2.80616e-07 -2.78183e-11 2.11318e-16 37186 3.44512 );
|
|
lowCpCoeffs ( 2.50004 -4.53973e-07 1.64417e-09 -2.42832e-12 1.24575e-15 37320.6 5.38414 );
|
|
}
|
|
}
|
|
C4H7__cyclobutyl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 55.1004;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 250;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.09129 0.0202621 -7.25107e-06 1.16753e-09 -6.97639e-14 23327.8 -19.903 );
|
|
lowCpCoeffs ( 4.52751 -0.00802608 0.000113186 -1.46033e-07 5.85457e-11 25967.1 7.1974 );
|
|
}
|
|
}
|
|
C5H6_Vinyl-Allene
|
|
{
|
|
specie
|
|
{
|
|
molWeight 66.1036;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 10.2448 0.0179711 -6.43632e-06 1.0353e-09 -6.18379e-14 25720.2 -27.2821 );
|
|
lowCpCoeffs ( 2.60874 0.0304163 1.58179e-06 -2.40521e-08 1.21983e-11 28280.8 14.3093 );
|
|
}
|
|
}
|
|
CT3__methyl_T-3
|
|
{
|
|
specie
|
|
{
|
|
molWeight 155.711;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.0696 0.00470749 -1.76694e-06 2.935e-10 -1.79153e-14 11948.9 -4.23776 );
|
|
lowCpCoeffs ( 3.64281 0.0057805 9.14284e-07 -2.94222e-09 8.90369e-13 12572.8 4.05606 );
|
|
}
|
|
}
|
|
Sn(CH3)4
|
|
{
|
|
specie
|
|
{
|
|
molWeight 178.83;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 13.879 0.0292001 -1.04178e-05 1.67323e-09 -9.9783e-14 -8819.07 -40.2554 );
|
|
lowCpCoeffs ( 6.19364 0.0387714 5.8899e-06 -3.20231e-08 1.54029e-11 -6031.69 2.46478 );
|
|
}
|
|
}
|
|
BiH3
|
|
{
|
|
specie
|
|
{
|
|
molWeight 212.004;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.67927 0.00425313 -1.62658e-06 2.73494e-10 -1.6834e-14 4762.43 -4.49793 );
|
|
lowCpCoeffs ( 2.87403 0.0070249 5.40797e-06 -1.16066e-08 4.8622e-12 5831.15 11.3312 );
|
|
}
|
|
}
|
|
HCCO_Ketyl_radical
|
|
{
|
|
specie
|
|
{
|
|
molWeight 41.0297;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.91479 0.00371409 -1.30137e-06 2.06473e-10 -1.21477e-14 19359.6 -5.50567 );
|
|
lowCpCoeffs ( 1.87608 0.0221205 -3.58869e-05 3.05403e-08 -1.01281e-11 20163.4 13.6968 );
|
|
}
|
|
}
|
|
CD4__RRHO
|
|
{
|
|
specie
|
|
{
|
|
molWeight 20.0676;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.47456 0.00807347 -3.01512e-06 4.99192e-10 -3.04025e-14 -12859.5 -4.90479 );
|
|
lowCpCoeffs ( 4.03498 -0.00668327 4.60177e-05 -5.34359e-08 2.00682e-11 -11921.8 1.32581 );
|
|
}
|
|
}
|
|
NH2__AMIDOGEN_RAD
|
|
{
|
|
specie
|
|
{
|
|
molWeight 16.0226;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 3000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.59263 0.00347684 -1.08272e-06 1.49343e-10 -5.75241e-15 21886.5 7.90565 );
|
|
lowCpCoeffs ( 4.19198 -0.00204603 6.67756e-06 -5.24907e-09 1.5559e-12 21499.1 -0.0904785 );
|
|
}
|
|
}
|
|
C18H30O2_Linolenic
|
|
{
|
|
specie
|
|
{
|
|
molWeight 278.439;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 39.2783 0.0949114 -3.43446e-05 5.56792e-09 -3.34202e-13 -65251.9 -171.299 );
|
|
lowCpCoeffs ( 16.9655 0.0208758 0.000351359 -4.73226e-07 1.89104e-10 -52678.5 -23.7455 );
|
|
}
|
|
}
|
|
C2H2FCl_1,1-FCl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 80.4896;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.38519 0.00688965 -2.50359e-06 4.07384e-10 -2.45255e-14 -23178.9 -16.8056 );
|
|
lowCpCoeffs ( 0.912416 0.0311142 -3.24491e-05 1.67416e-08 -3.16508e-12 -21292.1 20.903 );
|
|
}
|
|
}
|
|
Al(L)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 26.9815;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 933.61;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.8309 -2.09027e-05 1.04272e-08 -2.04841e-12 1.39566e-16 -99.7962 -17.5914 );
|
|
lowCpCoeffs ( 3.82019 -1.67563e-06 0 0 0 -95.7094 -17.5321 );
|
|
}
|
|
}
|
|
C10H7-CH2CH2*
|
|
{
|
|
specie
|
|
{
|
|
molWeight 155.221;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 24.7912 0.0371008 -1.34342e-05 2.17752e-09 -1.30704e-13 23652.1 -107.492 );
|
|
lowCpCoeffs ( -1.76567 0.0831852 1.56729e-05 -9.56306e-08 4.90427e-11 32081.6 35.6277 );
|
|
}
|
|
}
|
|
BF2+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 48.8073;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.92461 0.00159315 -6.20914e-07 1.05543e-10 -6.46138e-15 36754.2 -7.61356 );
|
|
lowCpCoeffs ( 3.05094 0.0105591 -1.16172e-05 6.50465e-09 -1.50156e-12 37509.5 7.00994 );
|
|
}
|
|
}
|
|
C3H5O__*CH2C2H3O
|
|
{
|
|
specie
|
|
{
|
|
molWeight 57.0727;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.15053 0.0142543 -5.05387e-06 8.08733e-10 -4.81184e-14 8729.87 -16.952 );
|
|
lowCpCoeffs ( 3.53458 0.00802399 4.85257e-05 -7.2355e-08 3.03823e-11 10806 11.1546 );
|
|
}
|
|
}
|
|
CP
|
|
{
|
|
specie
|
|
{
|
|
molWeight 42.9849;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.07735 -0.000169581 5.46808e-07 -1.50295e-10 1.15819e-14 61247.1 2.56975 );
|
|
lowCpCoeffs ( 3.70277 -0.00293989 1.25276e-05 -1.45997e-08 5.62509e-12 61502.9 5.35024 );
|
|
}
|
|
}
|
|
C7H5N___PhenylCN
|
|
{
|
|
specie
|
|
{
|
|
molWeight 103.125;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 13.9612 0.0207534 -7.52243e-06 1.22216e-09 -7.35027e-14 19107 -49.2868 );
|
|
lowCpCoeffs ( 0.892342 0.0358897 3.08694e-05 -7.31392e-08 3.38287e-11 23620.4 22.9691 );
|
|
}
|
|
}
|
|
ND
|
|
{
|
|
specie
|
|
{
|
|
molWeight 16.0208;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.92142 0.00146825 -5.06132e-07 8.1639e-11 -4.88174e-15 41871.2 5.51041 );
|
|
lowCpCoeffs ( 3.53319 -0.000116334 -5.33442e-07 2.54879e-09 -1.47191e-12 41737.4 2.42707 );
|
|
}
|
|
}
|
|
Br+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 79.9004;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 1.95532 0.00107208 -4.4538e-07 7.90914e-11 -5.05995e-15 150719 9.95824 );
|
|
lowCpCoeffs ( 2.45882 0.000423467 -1.53228e-06 2.19615e-09 -8.901e-13 150549 7.18782 );
|
|
}
|
|
}
|
|
C4H5O__EtKetene
|
|
{
|
|
specie
|
|
{
|
|
molWeight 69.0838;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 10.1609 0.0147618 -5.26039e-06 8.40484e-10 -4.98774e-14 10076.6 -22.0898 );
|
|
lowCpCoeffs ( 3.64262 0.0304101 -1.44228e-05 -3.09265e-09 3.91562e-12 12015.1 12.1897 );
|
|
}
|
|
}
|
|
Ni3S2(b)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 240.258;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 834;
|
|
Thigh 1064;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 26.1055 -0.00354133 0 0 0 -31136.4 -131.781 );
|
|
lowCpCoeffs ( 26.2732 -0.00386669 1.57656e-07 0 0 -31193.9 -132.692 );
|
|
}
|
|
}
|
|
C3F7_CF3CF*CF3_M
|
|
{
|
|
specie
|
|
{
|
|
molWeight 169.022;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 20.5301 0.00760063 -2.96491e-06 5.04882e-10 -3.13453e-14 -169702 -71.9281 );
|
|
lowCpCoeffs ( 3.14242 0.0603443 -6.17598e-05 2.7938e-08 -4.02551e-12 -165147 16.6898 );
|
|
}
|
|
}
|
|
C12H4Cl6O2_BIFENYL
|
|
{
|
|
specie
|
|
{
|
|
molWeight 392.882;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 40.5461 0.0256338 -9.5143e-06 1.5708e-09 -9.55423e-14 -54463.3 -175.242 );
|
|
lowCpCoeffs ( 1.01097 0.16003 -0.000194328 1.24221e-07 -3.27934e-11 -44644.9 23.1584 );
|
|
}
|
|
}
|
|
NH4NO3(I)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 80.0435;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 399;
|
|
Thigh 442.85;
|
|
Tcommon 442.85;
|
|
highCpCoeffs 7 { 0 };
|
|
lowCpCoeffs ( 12.9533 0.0156353 0 0 0 -47837 -58.4851 );
|
|
}
|
|
}
|
|
CH2OH+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 31.0339;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.15789 0.00847227 -2.90024e-06 4.52235e-10 -2.64241e-14 84608.6 6.46292 );
|
|
lowCpCoeffs ( 3.54817 -0.00288791 2.98391e-05 -3.33578e-08 1.20141e-11 85029.7 7.01729 );
|
|
}
|
|
}
|
|
PCl2-
|
|
{
|
|
specie
|
|
{
|
|
molWeight 101.88;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.65798 0.000360288 -1.43513e-07 2.47714e-11 -1.55231e-15 -44948.4 -4.42073 );
|
|
lowCpCoeffs ( 3.54436 0.0146405 -2.59211e-05 2.13029e-08 -6.66864e-12 -44368.4 10.2701 );
|
|
}
|
|
}
|
|
HSO2__HO-SO
|
|
{
|
|
specie
|
|
{
|
|
molWeight 65.0708;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.39567 0.00256432 -8.77533e-07 1.37135e-10 -8.02657e-15 -30536.7 -3.6268 );
|
|
lowCpCoeffs ( 3.73733 0.00930978 -3.85404e-06 -4.07783e-09 3.09632e-12 -29826.1 10.1081 );
|
|
}
|
|
}
|
|
C19H40_NanoDecane
|
|
{
|
|
specie
|
|
{
|
|
molWeight 268.531;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 56.1326 0.0923126 -3.61587e-05 6.69666e-09 -4.67926e-13 -79319.2 -252.422 );
|
|
lowCpCoeffs ( 28.1334 -0.0240709 0.000542583 -7.13372e-07 2.85241e-10 -63166.9 -63.4023 );
|
|
}
|
|
}
|
|
CH3N2_cy(-CH*N=NH-
|
|
{
|
|
specie
|
|
{
|
|
molWeight 43.0485;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.79825 0.00880092 -3.10084e-06 4.94272e-10 -2.93339e-14 52807.4 -7.13285 );
|
|
lowCpCoeffs ( 3.50921 -0.00528962 6.24244e-05 -8.21227e-08 3.3442e-11 54259.9 9.17833 );
|
|
}
|
|
}
|
|
Ag_liq
|
|
{
|
|
specie
|
|
{
|
|
molWeight 107.87;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 1235.08;
|
|
Thigh 6000;
|
|
Tcommon 1235.08;
|
|
highCpCoeffs ( 4.04092 -3.49297e-05 1.6017e-08 -2.96226e-12 1.92333e-16 -477.718 -17.8492 );
|
|
lowCpCoeffs 7 { 0 };
|
|
}
|
|
}
|
|
C3H7I_1-IodoProp
|
|
{
|
|
specie
|
|
{
|
|
molWeight 169.994;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 9.64323 0.0190458 -6.92574e-06 1.12516e-09 -6.7599e-14 -8138.92 -19.7059 );
|
|
lowCpCoeffs ( 5.59385 0.0118914 4.04775e-05 -5.87764e-08 2.36345e-11 -6078.43 5.76073 );
|
|
}
|
|
}
|
|
C7H7O2__p-guyacyl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 123.133;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 16.775 0.0256329 -9.23722e-06 1.49516e-09 -8.96951e-14 -7721.15 -62.3665 );
|
|
lowCpCoeffs ( 1.41212 0.0474352 1.94139e-05 -6.40076e-08 3.03226e-11 -2516.55 21.8597 );
|
|
}
|
|
}
|
|
C6H5_CHAIN
|
|
{
|
|
specie
|
|
{
|
|
molWeight 77.1068;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 13.4118 0.0147202 -5.08177e-06 7.98864e-10 -4.69508e-14 58503.7 -41.652 );
|
|
lowCpCoeffs ( 0.779297 0.0543721 -4.78738e-05 1.61872e-08 3.37357e-13 61650.3 22.1286 );
|
|
}
|
|
}
|
|
I2O__I-O-I
|
|
{
|
|
specie
|
|
{
|
|
molWeight 269.808;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.7188 0.000296282 -1.18004e-07 2.03667e-11 -1.27617e-15 12285.5 -1.40788 );
|
|
lowCpCoeffs ( 3.56028 0.0167429 -3.36583e-05 3.0865e-08 -1.05936e-11 12808.2 13.1005 );
|
|
}
|
|
}
|
|
C6H13__2-M-2yl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 85.1705;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.7183 0.035042 -1.26215e-05 2.03555e-09 -1.21626e-13 -4506.8 -36.681 );
|
|
lowCpCoeffs ( 7.00864 0.0191966 7.32824e-05 -1.04059e-07 4.16237e-11 -1334.58 0.581908 );
|
|
}
|
|
}
|
|
C2H3O2_*CH2CH=O
|
|
{
|
|
specie
|
|
{
|
|
molWeight 43.0456;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.53928 0.00780239 -2.76414e-06 4.42099e-10 -2.62954e-14 -1188.59 -8.72091 );
|
|
lowCpCoeffs ( 2.79503 0.0101099 1.61751e-05 -3.10303e-08 1.39436e-11 162.945 12.3647 );
|
|
}
|
|
}
|
|
C2Cl2F2_1,2-cis
|
|
{
|
|
specie
|
|
{
|
|
molWeight 132.925;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.2715 0.00375606 -1.45679e-06 2.47184e-10 -1.53097e-14 -45185.6 -32.8646 );
|
|
lowCpCoeffs ( 2.63832 0.0413849 -6.3447e-05 5.01026e-08 -1.58761e-11 -42995.1 14.3921 );
|
|
}
|
|
}
|
|
CHO+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 29.018;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.60742 0.00339656 -1.20331e-06 1.92327e-10 -1.14295e-14 98990.2 2.55193 );
|
|
lowCpCoeffs ( 2.09629 0.00963028 -1.21902e-05 9.41015e-09 -2.96499e-12 99333 9.91592 );
|
|
}
|
|
}
|
|
C6H12_2Me-2en
|
|
{
|
|
specie
|
|
{
|
|
molWeight 84.1625;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 10.7253 0.0346134 -1.23986e-05 1.99406e-09 -1.18968e-13 -13219.5 -28.1051 );
|
|
lowCpCoeffs ( 8.96525 -0.00730016 0.0001334 -1.62499e-07 6.22492e-11 -10452.5 -7.69362 );
|
|
}
|
|
}
|
|
Na(cr)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 22.9898;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 371.01;
|
|
Tcommon 371;
|
|
highCpCoeffs 7 { 0 };
|
|
lowCpCoeffs ( 1.23954 0.0200562 -7.36418e-05 1.02712e-07 0 -813.321 -4.50651 );
|
|
}
|
|
}
|
|
C5H9O2_MeButyratC2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 101.126;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 13.9555 0.0266176 -9.8188e-06 1.60529e-09 -9.67518e-14 -40474.6 -39.0163 );
|
|
lowCpCoeffs ( 8.17853 0.00811271 8.57811e-05 -1.15643e-07 4.58335e-11 -37185.8 -0.805126 );
|
|
}
|
|
}
|
|
SF-
|
|
{
|
|
specie
|
|
{
|
|
molWeight 51.0629;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.33848 3.64529e-05 1.04598e-07 -2.8525e-11 1.67618e-15 -29227.1 1.03944 );
|
|
lowCpCoeffs ( 2.67082 0.00575643 -7.73648e-06 5.05411e-09 -1.2922e-12 -28817.7 9.38906 );
|
|
}
|
|
}
|
|
DT
|
|
{
|
|
specie
|
|
{
|
|
molWeight 49.9141;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.79389 0.00147389 -4.75784e-07 7.3594e-11 -4.2671e-15 -2574.61 1.6806 );
|
|
lowCpCoeffs ( 3.47403 0.000431113 -1.90913e-06 3.43259e-09 -1.56729e-12 -2782.73 -1.98715 );
|
|
}
|
|
}
|
|
C9H7+_C6H5CH=C=CH
|
|
{
|
|
specie
|
|
{
|
|
molWeight 115.156;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 16.7696 0.0260156 -9.35729e-06 1.51253e-09 -9.06472e-14 127962 -63.7546 );
|
|
lowCpCoeffs ( -3.48661 0.0796161 -5.51521e-05 1.081e-08 3.06243e-12 133728 41.58 );
|
|
}
|
|
}
|
|
C23H48__tricosan
|
|
{
|
|
specie
|
|
{
|
|
molWeight 324.639;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 61.6617 0.120847 -4.44484e-05 7.71912e-09 -5.11337e-13 -93122.6 -275.442 );
|
|
lowCpCoeffs ( 1.98141 0.227892 -4.1561e-05 -1.01254e-07 5.82108e-11 -72427.9 49.9708 );
|
|
}
|
|
}
|
|
s-1,5-C6H4__cis
|
|
{
|
|
specie
|
|
{
|
|
molWeight 76.0988;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.2389 0.0136279 -4.80715e-06 7.66747e-10 -4.55211e-14 58140.1 -37.0117 );
|
|
lowCpCoeffs ( -0.436293 0.0612732 -7.68493e-05 5.18459e-08 -1.40527e-11 61038.3 25.3965 );
|
|
}
|
|
}
|
|
CO3-__gas
|
|
{
|
|
specie
|
|
{
|
|
molWeight 60.0099;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 7.34758 0.00268967 -1.04696e-06 1.7803e-10 -1.10419e-14 -72557.1 -10.6758 );
|
|
lowCpCoeffs ( 2.89975 0.0129851 -6.3595e-06 -2.85214e-09 2.4841e-12 -71227.6 12.7959 );
|
|
}
|
|
}
|
|
TF_Tritium_Fluor
|
|
{
|
|
specie
|
|
{
|
|
molWeight 66.8984;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.73199 0.00176068 -6.95929e-07 1.2895e-10 -8.96205e-15 -34747.8 6.08771 );
|
|
lowCpCoeffs ( 3.50679 7.66431e-05 -9.55659e-07 2.72266e-09 -1.43372e-12 -34957.5 2.04107 );
|
|
}
|
|
}
|
|
HPO3__HOPO2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 79.98;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 9.07543 0.00308253 -1.1234e-06 1.83698e-10 -1.11135e-14 -89186.4 -19.7913 );
|
|
lowCpCoeffs ( 1.63071 0.024999 -2.23292e-05 5.83782e-09 1.06881e-12 -87260.9 18.1667 );
|
|
}
|
|
}
|
|
C10H20_3-decene-
|
|
{
|
|
specie
|
|
{
|
|
molWeight 140.271;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 23.9014 0.0538879 -2.01286e-05 3.52665e-09 -2.34997e-13 -28561.8 -92.5811 );
|
|
lowCpCoeffs ( 2.73154 0.0788863 2.51642e-05 -8.5251e-08 3.92428e-11 -20689.8 25.7334 );
|
|
}
|
|
}
|
|
C3H5Cl__CHCl=CHCH3
|
|
{
|
|
specie
|
|
{
|
|
molWeight 76.5263;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 7.9378 0.0144894 -5.14736e-06 8.24669e-10 -4.91034e-14 -4573.04 -14.7604 );
|
|
lowCpCoeffs ( 4.42267 0.0107886 2.92263e-05 -4.48389e-08 1.84567e-11 -2950.68 6.62986 );
|
|
}
|
|
}
|
|
MgSiO3(II)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 100.396;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 903;
|
|
Thigh 1300;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 14.4735 0 0 0 0 -191613 -76.6483 );
|
|
lowCpCoeffs ( 14.4735 0 0 0 0 -191613 -76.6483 );
|
|
}
|
|
}
|
|
BrOBr
|
|
{
|
|
specie
|
|
{
|
|
molWeight 175.801;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 2550;
|
|
Thigh 5000;
|
|
Tcommon 2550;
|
|
highCpCoeffs ( -141.119 0.188016 -8.00195e-05 1.43268e-08 -9.30195e-13 93279.4 870.395 );
|
|
lowCpCoeffs 7 { 0 };
|
|
}
|
|
}
|
|
S3
|
|
{
|
|
specie
|
|
{
|
|
molWeight 96.192;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.53302 0.000489117 -1.9412e-07 3.34257e-11 -2.09107e-15 15318.7 -4.42378 );
|
|
lowCpCoeffs ( 2.67426 0.0185726 -3.39241e-05 2.89518e-08 -9.41516e-12 16032 13.727 );
|
|
}
|
|
}
|
|
C4H8O_n-Butanal
|
|
{
|
|
specie
|
|
{
|
|
molWeight 72.1078;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 10.2351 0.0232201 -8.46144e-06 1.3759e-09 -8.27046e-14 -30034.6 -28.2583 );
|
|
lowCpCoeffs ( 5.30068 0.00500213 8.1222e-05 -1.07816e-07 4.25781e-11 -27119.8 4.93593 );
|
|
}
|
|
}
|
|
C3H3-_CH3CC*-
|
|
{
|
|
specie
|
|
{
|
|
molWeight 39.0579;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.00962 0.00991355 -3.59115e-06 5.82801e-10 -3.50105e-14 27967.2 -1.76913 );
|
|
lowCpCoeffs ( 3.70094 0.0059462 1.41301e-05 -1.85781e-08 6.68067e-12 28799.5 7.08573 );
|
|
}
|
|
}
|
|
C4H9N_PYRROLIDINE
|
|
{
|
|
specie
|
|
{
|
|
molWeight 71.123;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 9.19145 0.027302 -9.88748e-06 1.60491e-09 -9.64626e-14 -5928.05 -26.5465 );
|
|
lowCpCoeffs ( 5.54759 -0.0202998 0.000173431 -2.15285e-07 8.47212e-11 -2330.33 5.65934 );
|
|
}
|
|
}
|
|
C
|
|
{
|
|
specie
|
|
{
|
|
molWeight 12.0112;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.60558 -0.000195934 1.06737e-07 -1.64239e-11 8.18706e-16 85411.7 4.19239 );
|
|
lowCpCoeffs ( 2.55424 -0.000321538 7.33792e-07 -7.32235e-10 2.66521e-13 85442.7 4.53131 );
|
|
}
|
|
}
|
|
PbCl3
|
|
{
|
|
specie
|
|
{
|
|
molWeight 313.549;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 9.7545 0.000260511 -1.04184e-07 1.80306e-11 -1.13192e-15 -24338.7 -13.4989 );
|
|
lowCpCoeffs ( 5.7333 0.0236645 -5.18851e-05 5.04554e-08 -1.80404e-11 -23760.7 4.46241 );
|
|
}
|
|
}
|
|
KNO3(b)_Hexagonal
|
|
{
|
|
specie
|
|
{
|
|
molWeight 101.107;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 402;
|
|
Thigh 607.7;
|
|
Tcommon 402;
|
|
highCpCoeffs 7 { 0 };
|
|
lowCpCoeffs ( 4118.32 -33.9709 0.104796 -0.000142778 7.24826e-08 -455408 -16867.3 );
|
|
}
|
|
}
|
|
SH
|
|
{
|
|
specie
|
|
{
|
|
molWeight 33.072;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.03153 0.00125805 -4.05524e-07 6.19648e-11 -3.50862e-15 16206 6.15022 );
|
|
lowCpCoeffs ( 3.68467 0.00324609 -1.28635e-05 1.69512e-08 -7.07595e-12 15903.6 2.01782 );
|
|
}
|
|
}
|
|
C6H9_1-C5H7-3-CH2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 81.1386;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 11.8634 0.0270295 -9.65911e-06 1.55395e-09 -9.28041e-14 19382.5 -38.5522 );
|
|
lowCpCoeffs ( 3.57988 0.0112979 0.000100236 -1.44017e-07 5.95984e-11 23354.7 13.0536 );
|
|
}
|
|
}
|
|
C8H14__cis_Penta
|
|
{
|
|
specie
|
|
{
|
|
molWeight 110.201;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 14.3686 0.0443431 -1.59767e-05 2.58445e-09 -1.54937e-13 -19905 -59.2606 );
|
|
lowCpCoeffs ( 3.87115 -0.00216398 0.000208733 -2.75848e-07 1.10573e-10 -13594.5 12.5348 );
|
|
}
|
|
}
|
|
GeS
|
|
{
|
|
specie
|
|
{
|
|
molWeight 104.654;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.28047 0.000289388 -1.17809e-07 2.2588e-11 -1.36412e-15 11523.2 4.43685 );
|
|
lowCpCoeffs ( 2.73201 0.00757877 -1.36729e-05 1.15657e-08 -3.73032e-12 11805.3 11.706 );
|
|
}
|
|
}
|
|
C8H6O2_BENZODIOXIN
|
|
{
|
|
specie
|
|
{
|
|
molWeight 134.136;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 18.3621 0.0250459 -9.11652e-06 1.48553e-09 -8.95329e-14 -17124 -74.617 );
|
|
lowCpCoeffs ( -0.784951 0.0520349 3.21242e-05 -9.12264e-08 4.35398e-11 -10766.2 30.0336 );
|
|
}
|
|
}
|
|
C12H9N__CARBAZOLE
|
|
{
|
|
specie
|
|
{
|
|
molWeight 167.212;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 25.5906 0.0350572 -1.28151e-05 2.09379e-09 -1.26416e-13 12136.8 -115.715 );
|
|
lowCpCoeffs ( -2.39694 0.077053 3.99732e-05 -1.26021e-07 6.11915e-11 21295.4 36.6013 );
|
|
}
|
|
}
|
|
HOOOH
|
|
{
|
|
specie
|
|
{
|
|
molWeight 50.0141;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.82366 0.00498101 -1.67543e-06 2.58626e-10 -1.50032e-14 -13392.4 -10.3411 );
|
|
lowCpCoeffs ( 2.12124 0.020768 -2.10731e-05 1.00935e-08 -1.53676e-12 -12271.9 13.1561 );
|
|
}
|
|
}
|
|
C4H6O4_Succinic_ac
|
|
{
|
|
specie
|
|
{
|
|
molWeight 118.09;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 16.7631 0.0178578 -6.52752e-06 1.06244e-09 -6.38774e-14 -105464 -52.6829 );
|
|
lowCpCoeffs ( 3.85821 0.0329419 3.48422e-05 -7.99213e-08 3.73709e-11 -101132 18.3278 );
|
|
}
|
|
}
|
|
C24H48O2_Lignocer
|
|
{
|
|
specie
|
|
{
|
|
molWeight 368.649;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 50.9288 0.148447 -5.35205e-05 8.65623e-09 -5.18736e-13 -135439 -235.188 );
|
|
lowCpCoeffs ( 30.5625 -0.0267304 0.000646474 -8.13668e-07 3.17354e-10 -118809 -74.6831 );
|
|
}
|
|
}
|
|
Pb(cr)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 207.19;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 600.65;
|
|
Tcommon 600.65;
|
|
highCpCoeffs 7 { 0 };
|
|
lowCpCoeffs ( 3.36014 -0.00431526 2.10404e-05 -3.35897e-08 1.91851e-11 -938.593 -10.7409 );
|
|
}
|
|
}
|
|
HOBr
|
|
{
|
|
specie
|
|
{
|
|
molWeight 96.9083;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.52559 0.00188368 -6.04304e-07 8.98999e-11 -5.06962e-15 -8929.77 3.31036 );
|
|
lowCpCoeffs ( 3.31732 0.00505329 -1.73683e-06 -2.67712e-09 1.93314e-12 -8624.68 9.49126 );
|
|
}
|
|
}
|
|
C12H7_Acenaphtynyl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 151.19;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 21.6586 0.0304696 -1.11497e-05 1.82317e-09 -1.10144e-13 52845.1 -97.33 );
|
|
lowCpCoeffs ( -2.23704 0.0620074 4.69636e-05 -1.20874e-07 5.68319e-11 60886.8 33.8046 );
|
|
}
|
|
}
|
|
C5H3Cl3_CY-1,2,4Cl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 169.439;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 16.5989 0.0131576 -4.81536e-06 7.8756e-10 -4.75897e-14 694.199 -56.3156 );
|
|
lowCpCoeffs ( 2.54323 0.0454553 -1.59328e-05 -2.04617e-08 1.40771e-11 4794.23 17.5906 );
|
|
}
|
|
}
|
|
C3D6_Cyclopropan
|
|
{
|
|
specie
|
|
{
|
|
molWeight 48.1181;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 10.2482 0.0140699 -5.27968e-06 8.7699e-10 -5.35366e-14 -844.387 -34.7481 );
|
|
lowCpCoeffs ( -1.18501 0.0361683 -2.53517e-06 -2.83415e-08 1.57552e-11 2767.63 26.5463 );
|
|
}
|
|
}
|
|
Cl2O2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 102.905;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 9.72414 0.000299916 -2.23948e-07 4.84238e-11 -3.45599e-15 13444.4 -20.7458 );
|
|
lowCpCoeffs ( 1.86341 0.033286 -5.72763e-05 4.69288e-08 -1.49568e-11 15100.2 17.2059 );
|
|
}
|
|
}
|
|
PH3+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 33.9972;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.72525 0.00564408 -2.039e-06 3.30158e-10 -1.97979e-14 114633 2.87804 );
|
|
lowCpCoeffs ( 2.49088 0.00917665 -7.25623e-06 4.81735e-09 -1.58795e-12 115032 9.37716 );
|
|
}
|
|
}
|
|
MgAl2O4(cr)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 142.273;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 2408;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 13.8156 0.0115569 -5.5898e-06 1.95865e-09 -2.5896e-13 -281391 -72.0236 );
|
|
lowCpCoeffs ( -11.6253 0.160819 -0.000342575 3.45234e-07 -1.32229e-10 -277793 41.3926 );
|
|
}
|
|
}
|
|
Ca(L)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 40.08;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 1115;
|
|
Thigh 6000;
|
|
Tcommon 1115;
|
|
highCpCoeffs ( 4.57032 0 0 0 0 -982.243 -21.1989 );
|
|
lowCpCoeffs 7 { 0 };
|
|
}
|
|
}
|
|
NO3
|
|
{
|
|
specie
|
|
{
|
|
molWeight 62.0049;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 7.48348 0.00257772 -1.00946e-06 1.72314e-10 -1.07154e-14 6129.9 -14.1618 );
|
|
lowCpCoeffs ( 2.17359 0.0104903 1.10473e-05 -2.81562e-08 1.36584e-11 7812.91 14.6022 );
|
|
}
|
|
}
|
|
SiCl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 63.539;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.39198 0.000185994 -7.13211e-08 1.89681e-11 -1.60705e-15 15784.3 3.47827 );
|
|
lowCpCoeffs ( 3.67188 0.00362626 -6.57182e-06 5.6374e-09 -1.8397e-12 15914.1 6.84926 );
|
|
}
|
|
}
|
|
C11N_Cyanoundecyl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 146.129;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 21.9552 0.01176 -4.36484e-06 7.19811e-10 -4.37223e-14 172808 -74.1286 );
|
|
lowCpCoeffs ( 5.58923 0.0987215 -0.000193152 1.85919e-07 -6.7051e-11 175724 1.37451 );
|
|
}
|
|
}
|
|
s-1-C10H7CH2CH2OH
|
|
{
|
|
specie
|
|
{
|
|
molWeight 172.229;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 25.8269 0.0406457 -1.47684e-05 2.39996e-09 -1.4428e-13 -18590.3 -111.345 );
|
|
lowCpCoeffs ( 0.148379 0.0718508 5.76461e-05 -1.42124e-07 6.6439e-11 -9838.12 30.1528 );
|
|
}
|
|
}
|
|
C6H4O2__O=C6H4=O
|
|
{
|
|
specie
|
|
{
|
|
molWeight 108.098;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 14.2767 0.0179605 -6.55669e-06 1.0704e-09 -6.45932e-14 -21000.5 -51.0533 );
|
|
lowCpCoeffs ( 0.856753 0.0415771 4.09304e-06 -4.07329e-08 2.08924e-11 -16679.3 21.4023 );
|
|
}
|
|
}
|
|
C2H3ClO2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 94.498;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 9.86256 0.0103235 -3.6994e-06 5.9341e-10 -3.53482e-14 -55476.6 -21.4717 );
|
|
lowCpCoeffs ( 3.46827 0.020008 7.43234e-06 -2.70228e-08 1.31588e-11 -53370 13.3549 );
|
|
}
|
|
}
|
|
S2F10
|
|
{
|
|
specie
|
|
{
|
|
molWeight 254.112;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 28.6713 0.00576159 -2.47272e-06 4.40611e-10 -2.8058e-14 -258625 -120.914 );
|
|
lowCpCoeffs ( -6.77889 0.151005 -0.000241031 1.83552e-07 -5.43743e-11 -251185 50.5529 );
|
|
}
|
|
}
|
|
Hg(L)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 200.59;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 234.29;
|
|
Thigh 2000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.39166 -0.000815636 1.36025e-06 -6.64574e-10 1.17932e-13 -973.058 -9.95804 );
|
|
lowCpCoeffs ( 3.68613 -0.000884371 -2.58545e-06 8.12482e-09 -5.52476e-12 -1050.3 -11.5403 );
|
|
}
|
|
}
|
|
C12H4Cl5O2_Radic
|
|
{
|
|
specie
|
|
{
|
|
molWeight 357.429;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 38.6927 0.0246951 -9.19368e-06 1.52064e-09 -9.26001e-14 -30389.7 -161.485 );
|
|
lowCpCoeffs ( 3.06138 0.126334 -0.000106852 3.0158e-08 2.92066e-12 -20787 21.539 );
|
|
}
|
|
}
|
|
SiH4__Silane
|
|
{
|
|
specie
|
|
{
|
|
molWeight 32.1179;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.94593 0.00763969 -2.8561e-06 4.73192e-10 -2.88329e-14 1904.93 -6.83351 );
|
|
lowCpCoeffs ( 3.21452 0.000618295 2.98188e-05 -3.85948e-08 1.51171e-11 2993.22 5.04679 );
|
|
}
|
|
}
|
|
C5H10O_2-Me_Furan
|
|
{
|
|
specie
|
|
{
|
|
molWeight 86.1349;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 10.418 0.0312273 -1.12227e-05 1.81227e-09 -1.08511e-13 -33148 -33.0729 );
|
|
lowCpCoeffs ( 5.67718 -0.0096204 0.000154433 -1.9498e-07 7.66158e-11 -29348.8 4.11172 );
|
|
}
|
|
}
|
|
Ge
|
|
{
|
|
specie
|
|
{
|
|
molWeight 72.59;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.09544 -0.00166977 7.42686e-07 -1.36626e-10 8.89093e-15 43178.5 -2.48945 );
|
|
lowCpCoeffs ( 0.821613 0.02066 -4.98247e-05 4.81698e-08 -1.67861e-11 43425.6 11.1758 );
|
|
}
|
|
}
|
|
C5H2Cl3_1,3,4_Cyc
|
|
{
|
|
specie
|
|
{
|
|
molWeight 168.431;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 16.899 0.0102613 -3.7847e-06 6.22286e-10 -3.77438e-14 11815.9 -57.2328 );
|
|
lowCpCoeffs ( 1.95136 0.0538396 -4.68814e-05 1.40727e-08 9.77871e-13 15774.2 19.2547 );
|
|
}
|
|
}
|
|
C9H8_INDENE
|
|
{
|
|
specie
|
|
{
|
|
molWeight 116.164;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 17.3187 0.0289828 -1.06051e-05 1.73345e-09 -1.04679e-13 11151.4 -71.5554 );
|
|
lowCpCoeffs ( -0.6819 0.0416587 7.07413e-05 -1.34309e-07 5.99159e-11 17705 29.7813 );
|
|
}
|
|
}
|
|
C4H8O2_Butyricacid
|
|
{
|
|
specie
|
|
{
|
|
molWeight 88.1072;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 10.4117 0.0247964 -8.90593e-06 1.43428e-09 -8.56419e-14 -60122.5 -24.7412 );
|
|
lowCpCoeffs ( 6.55569 0.00119881 9.25041e-05 -1.19594e-07 4.69862e-11 -57428.4 3.36227 );
|
|
}
|
|
}
|
|
CF3-CHClF__FC-124
|
|
{
|
|
specie
|
|
{
|
|
molWeight 136.477;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 15.2098 0.00625423 -2.50601e-06 4.32828e-10 -2.7098e-14 -117782 -49.5513 );
|
|
lowCpCoeffs ( 2.97475 0.0367988 -2.30891e-05 -2.75091e-09 5.43012e-12 -114254 14.4091 );
|
|
}
|
|
}
|
|
Ag
|
|
{
|
|
specie
|
|
{
|
|
molWeight 107.87;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.49723 -5.96379e-07 7.16733e-09 -4.57775e-12 7.79345e-16 33521.7 6.58032 );
|
|
lowCpCoeffs ( 2.5 0 0 0 0 33520 6.56282 );
|
|
}
|
|
}
|
|
AlF2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 64.9783;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.1842 0.000863881 -3.51168e-07 6.19864e-11 -3.84447e-15 -78041.2 -4.03483 );
|
|
lowCpCoeffs ( 3.57716 0.00797773 -5.28829e-06 -1.4509e-09 1.93935e-12 -77355.8 9.34714 );
|
|
}
|
|
}
|
|
CF3-_anion
|
|
{
|
|
specie
|
|
{
|
|
molWeight 69.0069;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.42949 0.00162644 -6.41126e-07 1.09908e-10 -6.85471e-15 -80720.7 -17.5994 );
|
|
lowCpCoeffs ( 0.630161 0.0325829 -4.9734e-05 3.65332e-08 -1.04945e-11 -79043.6 20.3473 );
|
|
}
|
|
}
|
|
CHO
|
|
{
|
|
specie
|
|
{
|
|
molWeight 29.0185;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.92002 0.00252279 -6.71004e-07 1.05616e-10 -7.43798e-15 3653.43 3.58077 );
|
|
lowCpCoeffs ( 4.23755 -0.00332075 1.4003e-05 -1.3424e-08 4.37416e-12 3872.41 3.30835 );
|
|
}
|
|
}
|
|
C7H14_CY-HEPTANE
|
|
{
|
|
specie
|
|
{
|
|
molWeight 98.1896;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 14.6623 0.0419249 -1.52234e-05 2.47499e-09 -1.4888e-13 -22745.7 -60.3648 );
|
|
lowCpCoeffs ( 3.11655 0.0126189 0.000156925 -2.16822e-07 8.78515e-11 -16705.6 13.7209 );
|
|
}
|
|
}
|
|
C6H12_2-Me-1en
|
|
{
|
|
specie
|
|
{
|
|
molWeight 84.1625;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 11.5866 0.0338174 -1.21776e-05 1.96349e-09 -1.17302e-13 -12950.9 -31.7957 );
|
|
lowCpCoeffs ( 7.32654 0.00224058 0.00011903 -1.54678e-07 6.1154e-11 -9731.97 0.501123 );
|
|
}
|
|
}
|
|
C5H10__2MB-3-ene
|
|
{
|
|
specie
|
|
{
|
|
molWeight 70.1355;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 9.57123 0.0279331 -9.9934e-06 1.60665e-09 -9.58445e-14 -8526.55 -22.8566 );
|
|
lowCpCoeffs ( 7.22291 -0.00273953 0.000104969 -1.31727e-07 5.12971e-11 -6107.68 -1.8469 );
|
|
}
|
|
}
|
|
C2Br5
|
|
{
|
|
specie
|
|
{
|
|
molWeight 423.527;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 17.6289 0.00066083 -3.20496e-07 6.11899e-11 -4.07155e-15 28329 -48.2305 );
|
|
lowCpCoeffs ( 7.27021 0.0431653 -7.08697e-05 5.53592e-08 -1.68986e-11 30506.3 1.8859 );
|
|
}
|
|
}
|
|
C6H2Cl3O3_BiCy
|
|
{
|
|
specie
|
|
{
|
|
molWeight 228.44;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 25.4863 0.0137336 -5.13874e-06 8.52779e-10 -5.20495e-14 -6363.5 -100.916 );
|
|
lowCpCoeffs ( 0.82596 0.0897047 -8.89846e-05 3.66349e-08 -3.29896e-12 -36.1541 24.2683 );
|
|
}
|
|
}
|
|
CBrClF2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 165.362;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 10.7966 0.00226676 -8.90039e-07 1.52198e-10 -9.47617e-15 -56939.4 -24.8667 );
|
|
lowCpCoeffs ( 2.10552 0.0356772 -5.28319e-05 3.84797e-08 -1.11145e-11 -55000.5 17.7302 );
|
|
}
|
|
}
|
|
C11H22O2_cis-acid
|
|
{
|
|
specie
|
|
{
|
|
molWeight 186.297;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 26.7727 0.0659158 -2.38175e-05 3.85739e-09 -2.31368e-13 -88042 -112.283 );
|
|
lowCpCoeffs ( 12.3468 0.00594756 0.000266412 -3.52502e-07 1.40292e-10 -79390.2 -14.1239 );
|
|
}
|
|
}
|
|
C8H5_C6H5-CC*
|
|
{
|
|
specie
|
|
{
|
|
molWeight 101.129;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 14.543 0.0202785 -7.36298e-06 1.19772e-09 -7.20965e-14 72067.1 -51.8466 );
|
|
lowCpCoeffs ( 1.77838 0.0324194 3.85016e-05 -8.03842e-08 3.6269e-11 76600.4 19.3639 );
|
|
}
|
|
}
|
|
COHCl2___Radical
|
|
{
|
|
specie
|
|
{
|
|
molWeight 99.9245;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.92258 0.00298924 -1.03359e-06 1.62895e-10 -9.59843e-15 -13091.7 -14.6818 );
|
|
lowCpCoeffs ( 1.61722 0.0363021 -6.23253e-05 5.25832e-08 -1.71457e-11 -11690.1 19.9254 );
|
|
}
|
|
}
|
|
C7H6O___C6H5-CHO
|
|
{
|
|
specie
|
|
{
|
|
molWeight 106.125;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 15.6015 0.0218828 -8.01083e-06 1.30963e-09 -7.91373e-14 -12043.7 -58.698 );
|
|
lowCpCoeffs ( 1.57674 0.0302181 5.99285e-05 -1.09115e-07 4.80954e-11 -6861.86 20.6413 );
|
|
}
|
|
}
|
|
C18H12__Naphtace
|
|
{
|
|
specie
|
|
{
|
|
molWeight 228.296;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 32.419 0.0505658 -1.84487e-05 3.01064e-09 -1.81629e-13 20510.1 -155.321 );
|
|
lowCpCoeffs ( -2.6583 0.0898661 8.7964e-05 -1.98987e-07 9.118e-11 32693.4 38.9702 );
|
|
}
|
|
}
|
|
C17H34O2_mepalmita
|
|
{
|
|
specie
|
|
{
|
|
molWeight 270.459;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 39.5504 0.102918 -4.01504e-05 7.16632e-09 -4.80645e-13 -104729 -167.932 );
|
|
lowCpCoeffs ( 7.63133 0.130276 7.16556e-05 -1.82022e-07 8.13062e-11 -92817.1 11.7941 );
|
|
}
|
|
}
|
|
C12H20O10_Cellobi
|
|
{
|
|
specie
|
|
{
|
|
molWeight 324.287;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 46.626 0.0686168 -2.55169e-05 4.21974e-09 -2.56945e-13 -188827 -225.277 );
|
|
lowCpCoeffs ( 8.32198 0.0628814 0.000271753 -4.29459e-07 1.80191e-10 -174415 -4.13432 );
|
|
}
|
|
}
|
|
C5H7Cl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 102.565;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 13.0978 0.0198956 -7.143e-06 1.1483e-09 -6.84572e-14 1121.51 -37.8579 );
|
|
lowCpCoeffs ( 4.13049 0.0241562 4.12699e-05 -7.6655e-08 3.40286e-11 4452.29 13.0293 );
|
|
}
|
|
}
|
|
C7H16_n-heptane
|
|
{
|
|
specie
|
|
{
|
|
molWeight 100.206;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 20.4565 0.0348575 -1.09227e-05 1.67202e-09 -9.81025e-14 -32555.6 -80.4405 );
|
|
lowCpCoeffs ( 11.1533 -0.0094942 0.000195572 -2.49754e-07 9.84878e-11 -26768.9 -15.9097 );
|
|
}
|
|
}
|
|
C8H6O_BENZOFURAN
|
|
{
|
|
specie
|
|
{
|
|
molWeight 118.136;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 16.1268 0.0242943 -8.82919e-06 1.43722e-09 -8.65592e-14 -5748.68 -64.0565 );
|
|
lowCpCoeffs ( -0.785221 0.0396432 5.69752e-05 -1.14832e-07 5.19411e-11 215.749 30.2656 );
|
|
}
|
|
}
|
|
C10H20O2_cis-acid
|
|
{
|
|
specie
|
|
{
|
|
molWeight 172.27;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 24.3931 0.0601826 -2.17409e-05 3.51755e-09 -2.10771e-13 -84416.1 -100.176 );
|
|
lowCpCoeffs ( 11.0285 0.00814098 0.000236102 -3.14707e-07 1.25578e-10 -76579.8 -10.109 );
|
|
}
|
|
}
|
|
CHBr2CHBr2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 345.642;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 13.8384 0.00738728 -2.84065e-06 4.75294e-10 -2.90501e-14 -1054.39 -34.2536 );
|
|
lowCpCoeffs ( 5.8027 0.0315075 -2.75658e-05 8.55037e-09 5.36558e-13 1031.06 6.66453 );
|
|
}
|
|
}
|
|
C5H4O2_Ketene
|
|
{
|
|
specie
|
|
{
|
|
molWeight 96.0864;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.3494 0.0164233 -5.96752e-06 9.70925e-10 -5.8445e-14 -18114.2 -33.8091 );
|
|
lowCpCoeffs ( 3.71975 0.0285215 8.94531e-06 -3.30626e-08 1.55937e-11 -15126.7 13.6794 );
|
|
}
|
|
}
|
|
C6D5,phenyl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 82.1374;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 14.2048 0.0162417 -6.14709e-06 1.02681e-09 -6.29243e-14 31514.1 -52.9079 );
|
|
lowCpCoeffs ( -2.42438 0.0549432 -2.56858e-05 -1.26753e-08 1.11056e-11 36497.3 34.8057 );
|
|
}
|
|
}
|
|
NH4NO3(IV)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 80.0435;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 305.38;
|
|
Tcommon 305.38;
|
|
highCpCoeffs 7 { 0 };
|
|
lowCpCoeffs ( 5.86565 0.0364303 0 0 0 -47339.4 -26.1436 );
|
|
}
|
|
}
|
|
C3H2Cl__ClAllene
|
|
{
|
|
specie
|
|
{
|
|
molWeight 73.5024;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.7934 0.0061662 -2.15999e-06 3.42904e-10 -2.02912e-14 36280.5 -16.8647 );
|
|
lowCpCoeffs ( 1.44786 0.0380092 -5.84384e-05 4.69334e-08 -1.48298e-11 37778.3 18.345 );
|
|
}
|
|
}
|
|
C3H5O2_Methyl_ac
|
|
{
|
|
specie
|
|
{
|
|
molWeight 73.0721;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 10.2649 0.0148203 -5.31197e-06 8.56532e-10 -5.12422e-14 -31234.1 -26.6046 );
|
|
lowCpCoeffs ( 3.51221 0.0185583 2.64111e-05 -4.93051e-08 2.14021e-11 -28674.9 11.7994 );
|
|
}
|
|
}
|
|
CD___excited_4si
|
|
{
|
|
specie
|
|
{
|
|
molWeight 14.0252;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.99153 0.00144505 -5.01814e-07 8.17479e-11 -4.92249e-15 79688.2 5.3988 );
|
|
lowCpCoeffs ( 3.56919 -0.000483086 6.29958e-07 1.37526e-09 -1.07973e-12 79588.9 2.60825 );
|
|
}
|
|
}
|
|
C14H10__Anthracene
|
|
{
|
|
specie
|
|
{
|
|
molWeight 178.236;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 26.5526 0.0398056 -1.45832e-05 2.38599e-09 -1.44189e-13 13998.8 -122.763 );
|
|
lowCpCoeffs ( -1.52519 0.06913 7.96154e-05 -1.71564e-07 7.83604e-11 23801.4 33.125 );
|
|
}
|
|
}
|
|
C4H5N__Pyrole_cy
|
|
{
|
|
specie
|
|
{
|
|
molWeight 67.0911;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 9.77286 0.0161109 -5.76891e-06 9.29714e-10 -5.56032e-14 8263.13 -29.6669 );
|
|
lowCpCoeffs ( 0.385608 0.0189433 5.26739e-05 -9.14601e-08 4.04462e-11 11750.3 23.7953 );
|
|
}
|
|
}
|
|
Bi+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 208.979;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.55336 3.48525e-05 -1.67299e-07 8.7815e-11 -8.72927e-15 109657 6.50141 );
|
|
lowCpCoeffs ( 2.50095 -7.10226e-06 1.79358e-08 -1.92368e-11 7.44426e-15 109692 6.84437 );
|
|
}
|
|
}
|
|
H2CNO_H2C*N=O
|
|
{
|
|
specie
|
|
{
|
|
molWeight 44.0332;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.40282 0.0069057 -2.5163e-06 4.10141e-10 -2.47183e-14 24528.7 -4.45743 );
|
|
lowCpCoeffs ( 3.87819 -0.00665309 5.39476e-05 -6.81768e-08 2.71817e-11 25716.9 7.46188 );
|
|
}
|
|
}
|
|
C11H__linear
|
|
{
|
|
specie
|
|
{
|
|
molWeight 133.131;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 21.4529 0.0121382 -4.48846e-06 7.38741e-10 -4.48225e-14 176329 -76.0463 );
|
|
lowCpCoeffs ( 1.36746 0.109202 -0.000198846 1.80917e-07 -6.28444e-11 180183 18.4543 );
|
|
}
|
|
}
|
|
C4H7O_C2H5C(O)CH2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 71.0998;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 11.0741 0.018722 -6.69736e-06 1.07511e-09 -6.40311e-14 -11696.5 -28.9098 );
|
|
lowCpCoeffs ( 2.01728 0.0371504 -5.95759e-06 -2.19709e-08 1.28707e-11 -8925.92 19.3025 );
|
|
}
|
|
}
|
|
C6H7__C5H4-1-CH3
|
|
{
|
|
specie
|
|
{
|
|
molWeight 79.1227;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.8997 0.0212183 -7.67565e-06 1.24496e-09 -7.47732e-14 20511.9 -44.7535 );
|
|
lowCpCoeffs ( 0.564034 0.0384202 1.94959e-05 -5.95545e-08 2.8687e-11 24637 22.7464 );
|
|
}
|
|
}
|
|
C3H5Cl_CH2=CHCH2Cl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 76.5263;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.5244 0.0139388 -4.94599e-06 7.87953e-10 -4.66709e-14 -3806.84 -17.1514 );
|
|
lowCpCoeffs ( 3.46379 0.0113302 4.01782e-05 -6.44061e-08 2.76923e-11 -1732.66 12.6491 );
|
|
}
|
|
}
|
|
Sn
|
|
{
|
|
specie
|
|
{
|
|
molWeight 118.69;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.57483 -0.000610309 -1.01814e-08 2.65203e-11 -2.6147e-15 34337.6 -6.81598 );
|
|
lowCpCoeffs ( 3.27175 -0.00788384 2.4625e-05 -2.29309e-08 6.89625e-12 35425.3 3.06908 );
|
|
}
|
|
}
|
|
CH3C+_triradical
|
|
{
|
|
specie
|
|
{
|
|
molWeight 27.0457;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.76985 0.00725217 -2.58632e-06 4.15263e-10 -2.4758e-14 158361 -2.5683 );
|
|
lowCpCoeffs ( 3.30491 0.00859748 9.0246e-07 -5.25168e-09 2.27304e-12 158948 5.77596 );
|
|
}
|
|
}
|
|
CO2_cy__C(OO)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 44.01;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.46657 0.00154747 -6.00721e-07 1.01977e-10 -6.31786e-15 20900 -3.59835 );
|
|
lowCpCoeffs ( 3.18456 0.00536293 2.20597e-06 -8.41227e-09 4.16779e-12 21632.5 8.74099 );
|
|
}
|
|
}
|
|
PbCl4
|
|
{
|
|
specie
|
|
{
|
|
molWeight 349.002;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.6456 0.0003756 -1.5011e-07 2.59671e-11 -1.62965e-15 -43246.3 -26.4535 );
|
|
lowCpCoeffs ( 7.20271 0.031504 -6.8196e-05 6.57681e-08 -2.33833e-11 -42444.8 -2.02928 );
|
|
}
|
|
}
|
|
C20H40O2_etStearat
|
|
{
|
|
specie
|
|
{
|
|
molWeight 312.541;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 46.0487 0.120812 -4.71141e-05 8.4065e-09 -5.63603e-13 -116968 -198.596 );
|
|
lowCpCoeffs ( -2.70218 0.226825 -8.75531e-05 -4.39254e-08 3.47715e-11 -101728 60.8589 );
|
|
}
|
|
}
|
|
PCl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 66.4268;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.48235 -0.000174425 2.41759e-07 -5.25519e-11 3.25792e-15 14801.8 2.85314 );
|
|
lowCpCoeffs ( 2.74992 0.0078003 -1.44793e-05 1.25327e-08 -4.10329e-12 15128.9 11.0377 );
|
|
}
|
|
}
|
|
C3H7N__AZETIDINE
|
|
{
|
|
specie
|
|
{
|
|
molWeight 57.0959;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 7.71656 0.0208431 -7.51846e-06 1.21711e-09 -7.30005e-14 7401.73 -20.5205 );
|
|
lowCpCoeffs ( 3.72047 -0.00949274 0.000121925 -1.56494e-07 6.25257e-11 10325.7 9.61787 );
|
|
}
|
|
}
|
|
C2Cl4_Tetrachlor
|
|
{
|
|
specie
|
|
{
|
|
molWeight 165.834;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 13.2028 0.0028427 -1.10834e-06 1.88694e-10 -1.1714e-14 -7055.86 -36.0906 );
|
|
lowCpCoeffs ( 3.11949 0.0449195 -7.36241e-05 5.96895e-08 -1.89904e-11 -4918.58 12.6542 );
|
|
}
|
|
}
|
|
AlO-
|
|
{
|
|
specie
|
|
{
|
|
molWeight 42.9814;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.9185 0.000617943 -2.29985e-07 3.92309e-11 -2.43417e-15 -34114.3 2.77104 );
|
|
lowCpCoeffs ( 3.09324 0.00166199 1.61563e-06 -3.65359e-09 1.62597e-12 -33828.7 7.3287 );
|
|
}
|
|
}
|
|
C5H10_1-pentene
|
|
{
|
|
specie
|
|
{
|
|
molWeight 70.1355;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 11.9502 0.025216 -8.85685e-06 1.42602e-09 -8.54795e-14 -8521.16 -36.5338 );
|
|
lowCpCoeffs ( 5.88359 0.00510404 9.78287e-05 -1.3239e-07 5.32234e-11 -5168.25 3.41989 );
|
|
}
|
|
}
|
|
PT_TritiumPhosphor
|
|
{
|
|
specie
|
|
{
|
|
molWeight 31.9818;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.65325 0.000845382 -3.25994e-07 5.5098e-11 -3.40316e-15 26197.9 3.38894 );
|
|
lowCpCoeffs ( 3.7752 -0.00324897 1.17796e-05 -1.26608e-08 4.57926e-12 26350.3 3.68104 );
|
|
}
|
|
}
|
|
C6H12_1-Hexene
|
|
{
|
|
specie
|
|
{
|
|
molWeight 84.1625;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.2081 0.0332791 -1.19876e-05 1.9294e-09 -1.15063e-13 -11222.4 -34.3172 );
|
|
lowCpCoeffs ( 6.59375 0.0058121 0.000117057 -1.57671e-07 6.35227e-11 -7716.64 4.70097 );
|
|
}
|
|
}
|
|
Ar+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 39.9475;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.88112 -0.000161448 1.88409e-08 1.05317e-12 -2.29903e-16 182698 3.47047 );
|
|
lowCpCoeffs ( 2.585 -0.00127111 5.12646e-06 -5.84034e-09 2.13932e-12 182879 5.48413 );
|
|
}
|
|
}
|
|
C7H5O___C6H5-C*O
|
|
{
|
|
specie
|
|
{
|
|
molWeight 105.117;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 14.7994 0.0195515 -7.08124e-06 1.14801e-09 -6.8955e-14 7311.04 -52.0904 );
|
|
lowCpCoeffs ( 1.46731 0.0341142 3.62308e-05 -8.05023e-08 3.70388e-11 11915.5 21.7256 );
|
|
}
|
|
}
|
|
CHF3__FLUOROFORM
|
|
{
|
|
specie
|
|
{
|
|
molWeight 70.0143;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 7.24609 0.00542386 -2.02314e-06 3.34946e-10 -2.04068e-14 -86325.8 -12.8982 );
|
|
lowCpCoeffs ( 2.73539 0.00872479 1.74822e-05 -3.21505e-08 1.41695e-11 -84684 12.488 );
|
|
}
|
|
}
|
|
BrCl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 115.354;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.94407 -0.000904228 5.9746e-07 -1.22752e-10 7.57259e-15 229.402 0.695986 );
|
|
lowCpCoeffs ( 2.91316 0.00801067 -1.63333e-05 1.52023e-08 -5.27061e-12 670.853 10.4867 );
|
|
}
|
|
}
|
|
N2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 28.0134;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.95258 0.0013969 -4.92632e-07 7.8601e-11 -4.60755e-15 -923.949 5.87189 );
|
|
lowCpCoeffs ( 3.53101 -0.000123661 -5.02999e-07 2.43531e-09 -1.40881e-12 -1046.98 2.96747 );
|
|
}
|
|
}
|
|
NO+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 30.0056;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.94588 0.00140325 -4.95503e-07 7.95949e-11 -4.72077e-15 118244 6.70645 );
|
|
lowCpCoeffs ( 3.69301 -0.00134229 2.67343e-06 -1.02609e-09 -6.9561e-14 118103 3.09127 );
|
|
}
|
|
}
|
|
s-1,3-C3H6S2_cy_di
|
|
{
|
|
specie
|
|
{
|
|
molWeight 106.209;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 10.7556 0.0178917 -6.40135e-06 1.03071e-09 -6.15928e-14 11713.4 -29.7978 );
|
|
lowCpCoeffs ( 2.10565 0.0225358 3.88559e-05 -7.2736e-08 3.24538e-11 14894.2 19.1416 );
|
|
}
|
|
}
|
|
C-
|
|
{
|
|
specie
|
|
{
|
|
molWeight 12.0117;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.50002 -1.71721e-08 6.92833e-12 -1.20608e-15 7.60309e-20 70064.9 4.87956 );
|
|
lowCpCoeffs ( 2.50025 -1.19774e-06 2.28919e-09 -1.98277e-12 6.44398e-16 70064.9 4.87847 );
|
|
}
|
|
}
|
|
C5H12O__3-methyl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 88.1508;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 11.9634 0.0332944 -1.18859e-05 1.9078e-09 -1.13676e-13 -42299.3 -34.93 );
|
|
lowCpCoeffs ( 6.97835 0.00381122 0.000117483 -1.54326e-07 6.12194e-11 -38903.8 1.04909 );
|
|
}
|
|
}
|
|
C2H5O__CH2CH2OH
|
|
{
|
|
specie
|
|
{
|
|
molWeight 45.0616;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 7.01349 0.0120204 -4.21992e-06 6.70676e-10 -3.97135e-14 -6161.62 -8.62052 );
|
|
lowCpCoeffs ( 4.20954 0.00912965 2.47462e-05 -3.92946e-08 1.66541e-11 -4915.11 8.30445 );
|
|
}
|
|
}
|
|
C2H4
|
|
{
|
|
specie
|
|
{
|
|
molWeight 28.0542;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.99183 0.0104834 -3.71721e-06 5.94628e-10 -3.5363e-14 4268.66 -0.269082 );
|
|
lowCpCoeffs ( 3.9592 -0.00757051 5.7099e-05 -6.91588e-08 2.69884e-11 5089.78 4.0973 );
|
|
}
|
|
}
|
|
CH3CO+__Acetylium
|
|
{
|
|
specie
|
|
{
|
|
molWeight 43.0451;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.38191 0.00945573 -3.39696e-06 5.48226e-10 -3.28062e-14 78185.6 -4.94235 );
|
|
lowCpCoeffs ( 3.31518 0.00697633 1.75092e-05 -2.69576e-08 1.1113e-11 79170.6 7.7426 );
|
|
}
|
|
}
|
|
C6H6_1,5-Hexadiyn
|
|
{
|
|
specie
|
|
{
|
|
molWeight 78.1147;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.7627 0.0177516 -6.31268e-06 1.01181e-09 -6.02595e-14 44774.6 -39.1869 );
|
|
lowCpCoeffs ( 1.05463 0.053036 -4.42295e-05 1.60204e-08 -7.28254e-13 47860.9 20.5281 );
|
|
}
|
|
}
|
|
C10H10_2,2p(C5H5)2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 130.191;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 19.9458 0.0342958 -1.25867e-05 2.05829e-09 -1.24256e-13 25182.5 -82.444 );
|
|
lowCpCoeffs ( 1.61705 0.0392928 9.65351e-05 -1.66382e-07 7.25256e-11 32218.9 22.593 );
|
|
}
|
|
}
|
|
Mg(OH)2(cr)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 58.3267;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 1000;
|
|
Tcommon 500;
|
|
highCpCoeffs ( 2.47573 0.0382012 -5.62504e-05 4.10064e-08 -1.14996e-11 -113215 -15.8221 );
|
|
lowCpCoeffs ( -8.50686 0.149248 -0.000529952 9.80751e-07 -7.08832e-10 -112192 27.8597 );
|
|
}
|
|
}
|
|
C6H12_trans_3
|
|
{
|
|
specie
|
|
{
|
|
molWeight 84.1625;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.2027 0.0333113 -1.19843e-05 1.92997e-09 -1.15175e-13 -12446.2 -38.0004 );
|
|
lowCpCoeffs ( 5.32121 0.0206273 7.37584e-05 -1.08945e-07 4.45825e-11 -9024.5 5.13145 );
|
|
}
|
|
}
|
|
OH_A_2Sigma+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 17.0074;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.75583 0.00139849 -4.19428e-07 6.33453e-11 -3.56042e-15 50975.2 5.62581 );
|
|
lowCpCoeffs ( 3.46084 0.000501872 -2.00254e-06 3.18902e-09 -1.35452e-12 50734.9 1.73976 );
|
|
}
|
|
}
|
|
SF4+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 108.057;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 11.5133 0.00155579 -6.17783e-07 1.06152e-10 -6.55592e-15 46176.2 -29.4473 );
|
|
lowCpCoeffs ( 1.86878 0.0427633 -7.06765e-05 5.5287e-08 -1.66917e-11 48111.7 16.7743 );
|
|
}
|
|
}
|
|
CH3OD_Methanol_d1
|
|
{
|
|
specie
|
|
{
|
|
molWeight 33.0486;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.76905 0.0104379 -3.74701e-06 6.04357e-10 -3.6148e-14 -26633.4 3.9414 );
|
|
lowCpCoeffs ( 5.23836 -0.0125811 6.09285e-05 -6.76337e-08 2.50761e-11 -26114.6 0.940935 );
|
|
}
|
|
}
|
|
C10_linear_single
|
|
{
|
|
specie
|
|
{
|
|
molWeight 120.112;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 17.3241 0.0108303 -4.10373e-06 6.85964e-10 -4.20558e-14 168991 -58.8951 );
|
|
lowCpCoeffs ( 3.73936 0.0613319 -8.66858e-05 6.86839e-08 -2.23748e-11 172320 8.65135 );
|
|
}
|
|
}
|
|
CH3COOH
|
|
{
|
|
specie
|
|
{
|
|
molWeight 60.053;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 7.67085 0.0135153 -5.25874e-06 8.93184e-10 -5.53181e-14 -55756.1 -15.4677 );
|
|
lowCpCoeffs ( 2.7895 0.00999942 3.42572e-05 -5.09031e-08 2.06222e-11 -53475.2 14.1053 );
|
|
}
|
|
}
|
|
Ca(b)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 40.08;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 716;
|
|
Thigh 1115;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.70112 -0.00581056 4.02213e-06 0 0 -1516.76 -26.0758 );
|
|
lowCpCoeffs ( 5.70112 -0.00581056 4.02213e-06 0 0 -1516.76 -26.0758 );
|
|
}
|
|
}
|
|
TCl_Tritium_Chlo
|
|
{
|
|
specie
|
|
{
|
|
molWeight 83.353;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.17991 0.00146435 -6.1159e-07 1.17644e-10 -8.37242e-15 -12761.1 4.98306 );
|
|
lowCpCoeffs ( 3.72461 -0.00223537 6.7787e-06 -5.77189e-09 1.64588e-12 -12777.8 2.77458 );
|
|
}
|
|
}
|
|
OBrO
|
|
{
|
|
specie
|
|
{
|
|
molWeight 111.9;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.29681 0.00080146 -4.48437e-07 1.30245e-10 -1.11914e-14 16913.9 -4.01429 );
|
|
lowCpCoeffs ( 2.94101 0.0121045 -1.46244e-05 7.59656e-09 -1.24878e-12 17724.5 12.7723 );
|
|
}
|
|
}
|
|
C2Br2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 183.824;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.39109 0.00199842 -7.4694e-07 1.23761e-10 -7.54234e-15 36017.5 -13.267 );
|
|
lowCpCoeffs ( 4.11907 0.024247 -4.74615e-05 4.45811e-08 -1.57269e-11 36766.3 6.46248 );
|
|
}
|
|
}
|
|
C20H40O2_Archidic
|
|
{
|
|
specie
|
|
{
|
|
molWeight 312.541;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 44.0263 0.124315 -4.52341e-05 7.35789e-09 -4.42594e-13 -119917 -201.96 );
|
|
lowCpCoeffs ( 25.1119 -0.0217034 0.000548095 -6.90773e-07 2.69291e-10 -105185 -56.6745 );
|
|
}
|
|
}
|
|
o-C6H3_Radical_Cy
|
|
{
|
|
specie
|
|
{
|
|
molWeight 75.0908;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 10.7791 0.0129753 -4.74349e-06 7.75171e-10 -4.68122e-14 82807.9 -32.3817 );
|
|
lowCpCoeffs ( 0.825343 0.0254304 2.14952e-05 -5.23693e-08 2.43576e-11 86193.1 22.4158 );
|
|
}
|
|
}
|
|
Pt_(cr)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 195.09;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 2042;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.85793 0.00102169 -5.90389e-07 2.63912e-10 -5.65926e-15 -895.793 -11.5728 );
|
|
lowCpCoeffs ( 2.60344 0.00237671 -3.28073e-06 2.61766e-09 -7.69579e-13 -857.676 -10.4183 );
|
|
}
|
|
}
|
|
B2H
|
|
{
|
|
specie
|
|
{
|
|
molWeight 22.63;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.18504 0.00207957 -7.51255e-07 1.21694e-10 -7.30114e-15 94029.1 -4.61358 );
|
|
lowCpCoeffs ( 1.78646 0.0184731 -3.22334e-05 2.76853e-08 -9.08376e-12 94649.4 11.2917 );
|
|
}
|
|
}
|
|
C6H10O5_Levogluco
|
|
{
|
|
specie
|
|
{
|
|
molWeight 162.144;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 21.2577 0.0337538 -1.20813e-05 1.94696e-09 -1.16454e-13 -105068 -87.7634 );
|
|
lowCpCoeffs ( 1.02548 0.0539526 5.79178e-05 -1.24491e-07 5.63562e-11 -97953 24.8253 );
|
|
}
|
|
}
|
|
PFCl-
|
|
{
|
|
specie
|
|
{
|
|
molWeight 85.4257;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.43591 0.000587656 -2.32484e-07 3.99484e-11 -2.49555e-15 -65740.2 -4.15274 );
|
|
lowCpCoeffs ( 2.903 0.0155124 -2.53498e-05 1.96581e-08 -5.8951e-12 -65023.2 12.8194 );
|
|
}
|
|
}
|
|
C9H20(L)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 128.26;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 423.43;
|
|
Tcommon 423.43;
|
|
highCpCoeffs 7 { 0 };
|
|
lowCpCoeffs ( 34.1721 0.000258204 -6.96987e-07 6.20424e-10 0 -43326.8 -147.403 );
|
|
}
|
|
}
|
|
C6H3_CH2=C*-CC-CCH
|
|
{
|
|
specie
|
|
{
|
|
molWeight 75.0908;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.0118 0.0114467 -4.08891e-06 6.5775e-10 -3.92823e-14 82591.5 -33.5052 );
|
|
lowCpCoeffs ( 1.50505 0.0545394 -7.86796e-05 6.26393e-08 -2.00161e-11 84915.4 17.609 );
|
|
}
|
|
}
|
|
s-1-C10H7C*O
|
|
{
|
|
specie
|
|
{
|
|
molWeight 155.178;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 22.7593 0.0295236 -1.08145e-05 1.76929e-09 -1.06922e-13 10600.8 -95.4682 );
|
|
lowCpCoeffs ( 0.247025 0.0623078 3.25269e-05 -9.98773e-08 4.79264e-11 18078.8 27.46 );
|
|
}
|
|
}
|
|
CH2ClF__GC-31
|
|
{
|
|
specie
|
|
{
|
|
molWeight 68.4785;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.72902 0.00655434 -2.37533e-06 3.85758e-10 -2.31899e-14 -33982 -3.65473 );
|
|
lowCpCoeffs ( 3.61773 0.00112919 2.99708e-05 -4.12418e-08 1.67946e-11 -32896.9 9.85303 );
|
|
}
|
|
}
|
|
SbOH_singlet
|
|
{
|
|
specie
|
|
{
|
|
molWeight 138.757;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.74523 0.00164977 -5.11952e-07 7.41134e-11 -4.08712e-15 6664.6 2.86898 );
|
|
lowCpCoeffs ( 2.95102 0.00848849 -9.27472e-06 4.0205e-09 -2.32205e-13 7019.4 11.5472 );
|
|
}
|
|
}
|
|
C24H46O2_Nervonic
|
|
{
|
|
specie
|
|
{
|
|
molWeight 366.633;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 53.3203 0.141463 -5.11318e-05 8.28416e-09 -4.97045e-13 -122193 -245.55 );
|
|
lowCpCoeffs ( 28.565 -0.0142626 0.000615395 -7.87488e-07 3.09229e-10 -104753 -64.2577 );
|
|
}
|
|
}
|
|
C10H10_1-meIndene
|
|
{
|
|
specie
|
|
{
|
|
molWeight 130.191;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 18.728 0.0347483 -1.25511e-05 2.03419e-09 -1.22128e-13 12851.2 -78.5849 );
|
|
lowCpCoeffs ( 0.574095 0.0429135 8.39135e-05 -1.50479e-07 6.59151e-11 19688.5 24.7488 );
|
|
}
|
|
}
|
|
SF5+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 127.055;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 13.9677 0.00193431 -6.95962e-07 1.23131e-10 -8.08635e-15 15907 -45.7383 );
|
|
lowCpCoeffs ( -1.8861 0.070094 -0.000117491 9.28408e-08 -2.82362e-11 19079 30.1651 );
|
|
}
|
|
}
|
|
C4H8_Cyclobutan
|
|
{
|
|
specie
|
|
{
|
|
molWeight 56.1084;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.06072 0.0232105 -8.36819e-06 1.35406e-09 -8.11852e-14 -1276.26 -24.3229 );
|
|
lowCpCoeffs ( 3.14397 -0.00504252 0.000120645 -1.5841e-07 6.38394e-11 1919.48 10.6618 );
|
|
}
|
|
}
|
|
DCl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 37.4671;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.04101 0.00141958 -5.1951e-07 8.99766e-11 -5.76689e-15 -12225.9 5.44917 );
|
|
lowCpCoeffs ( 3.59727 -0.000780561 1.58079e-06 3.35717e-10 -7.07923e-13 -12303.2 2.8503 );
|
|
}
|
|
}
|
|
HD+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 3.02153;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.63783 0.000458876 1.13136e-07 -4.23103e-11 2.49509e-15 178815 -2.37056 );
|
|
lowCpCoeffs ( 3.88007 -0.00306534 8.17334e-06 -6.80432e-09 1.98628e-12 178941 -2.79172 );
|
|
}
|
|
}
|
|
NF3
|
|
{
|
|
specie
|
|
{
|
|
molWeight 71.0019;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.09693 0.00222488 -7.38457e-07 1.32421e-10 -8.21404e-15 -18767.4 -16.3784 );
|
|
lowCpCoeffs ( 1.31849 0.023461 -2.352e-05 8.25914e-09 1.88966e-13 -17084.3 17.8419 );
|
|
}
|
|
}
|
|
Na+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 22.9893;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.5 0 0 0 0 72541.3 3.55085 );
|
|
lowCpCoeffs ( 2.5 0 0 0 0 72541.3 3.55085 );
|
|
}
|
|
}
|
|
C3HBr2O*__Radical
|
|
{
|
|
specie
|
|
{
|
|
molWeight 212.843;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.5023 0.00612225 -2.28219e-06 3.77619e-10 -2.2996e-14 24247.3 -27.8986 );
|
|
lowCpCoeffs ( 5.22278 0.0306179 -3.69504e-05 2.50477e-08 -7.24092e-12 26111.1 8.806 );
|
|
}
|
|
}
|
|
s-1-C10H7O*
|
|
{
|
|
specie
|
|
{
|
|
molWeight 143.167;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 21.0591 0.0282563 -1.03329e-05 1.68867e-09 -1.01975e-13 4091.44 -88.4963 );
|
|
lowCpCoeffs ( -1.15176 0.0611355 3.20151e-05 -9.94285e-08 4.7999e-11 11405.9 32.5585 );
|
|
}
|
|
}
|
|
HF
|
|
{
|
|
specie
|
|
{
|
|
molWeight 20.0064;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.92491 0.000850523 -1.5818e-07 1.17507e-11 -1.43309e-16 -33635.2 4.19019 );
|
|
lowCpCoeffs ( 3.48137 0.000212246 -6.86359e-07 8.56186e-10 -2.34582e-13 -33860.7 1.0258 );
|
|
}
|
|
}
|
|
Pt_(liq)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 195.09;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 2042;
|
|
Thigh 6000;
|
|
Tcommon 2042;
|
|
highCpCoeffs ( 4.34335 0.000878658 -3.23584e-07 5.10118e-11 -2.93869e-15 -785.224 -21.2453 );
|
|
lowCpCoeffs 7 { 0 };
|
|
}
|
|
}
|
|
CNO-
|
|
{
|
|
specie
|
|
{
|
|
molWeight 42.0178;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.08273 0.00233665 -8.84037e-07 1.47626e-10 -9.04472e-15 -8226.46 -3.45452 );
|
|
lowCpCoeffs ( 2.64569 0.010166 -1.15773e-05 7.62457e-09 -2.18508e-12 -7573.72 8.9489 );
|
|
}
|
|
}
|
|
CO
|
|
{
|
|
specie
|
|
{
|
|
molWeight 28.0106;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.04849 0.00135173 -4.85794e-07 7.88536e-11 -4.69807e-15 -14266.1 6.0171 );
|
|
lowCpCoeffs ( 3.57953 -0.000610354 1.01681e-06 9.07006e-10 -9.04424e-13 -14344.1 3.50841 );
|
|
}
|
|
}
|
|
HgBr2(cr)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 360.392;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 514;
|
|
Tcommon 514;
|
|
highCpCoeffs 7 { 0 };
|
|
lowCpCoeffs ( -0.123677 0.0901182 -0.00034231 5.95218e-07 -3.83878e-10 -23024.2 5.03433 );
|
|
}
|
|
}
|
|
Fe(OH)3(S)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 106.869;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 1500;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.96085 0.0266506 -1.69794e-05 4.63876e-09 -4.45226e-13 -102956 -28.6238 );
|
|
lowCpCoeffs ( 3.18335 0.0413173 -4.38046e-05 2.52043e-08 -6.07481e-12 -102586 -16.1395 );
|
|
}
|
|
}
|
|
C7H8_Norbornadiene
|
|
{
|
|
specie
|
|
{
|
|
molWeight 92.1418;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 13.9555 0.0261958 -9.49916e-06 1.54347e-09 -9.28251e-14 21469.2 -56.1061 );
|
|
lowCpCoeffs ( -1.6517 0.0306549 8.75981e-05 -1.51284e-07 6.67853e-11 27312.3 32.9197 );
|
|
}
|
|
}
|
|
C4H3_i-2yl_Rad
|
|
{
|
|
specie
|
|
{
|
|
molWeight 51.0685;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.51181 0.00903338 -3.17603e-06 5.05276e-10 -2.9938e-14 57104.6 -15.1018 );
|
|
lowCpCoeffs ( 3.37964 0.0270499 -2.90762e-05 1.83028e-08 -4.81164e-12 58368.9 10.5465 );
|
|
}
|
|
}
|
|
C8H15_1-octenyl-
|
|
{
|
|
specie
|
|
{
|
|
molWeight 111.209;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 18.6032 0.0407347 -1.52147e-05 2.66613e-09 -1.77711e-13 3775.73 -64.2994 );
|
|
lowCpCoeffs ( 3.9658 0.0500732 4.58634e-05 -9.55246e-08 4.20969e-11 9477.34 19.0962 );
|
|
}
|
|
}
|
|
SiCl3
|
|
{
|
|
specie
|
|
{
|
|
molWeight 134.445;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 9.38506 0.000646783 -2.57331e-07 4.43826e-11 -2.77967e-15 -43424.4 -15.9536 );
|
|
lowCpCoeffs ( 2.9376 0.0336963 -6.68833e-05 6.0827e-08 -2.07616e-11 -42337 13.7761 );
|
|
}
|
|
}
|
|
C2F6O2_CF3-OO-CF3
|
|
{
|
|
specie
|
|
{
|
|
molWeight 170.011;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 21.3794 0.00462586 -1.89287e-06 3.31186e-10 -2.09143e-14 -183859 -71.0292 );
|
|
lowCpCoeffs ( 1.4431 0.0748245 -9.87304e-05 6.21662e-08 -1.52807e-11 -179150 28.1093 );
|
|
}
|
|
}
|
|
C12H4Cl4O2_1368
|
|
{
|
|
specie
|
|
{
|
|
molWeight 321.976;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 35.5054 0.0268391 -1.00114e-05 1.65787e-09 -1.01036e-13 -35473.8 -153.759 );
|
|
lowCpCoeffs ( 1.29814 0.115772 -7.7658e-05 2.21456e-09 1.22634e-11 -25796.1 24.1502 );
|
|
}
|
|
}
|
|
S4
|
|
{
|
|
specie
|
|
{
|
|
molWeight 128.256;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 9.12782 0.000913784 -3.62719e-07 6.24637e-11 -3.90795e-15 13330.9 -17.4976 );
|
|
lowCpCoeffs ( 1.62124 0.0369694 -6.92244e-05 6.03241e-08 -1.99529e-11 14688 17.6312 );
|
|
}
|
|
}
|
|
Ni3S2(a)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 240.258;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 834;
|
|
Tcommon 834;
|
|
highCpCoeffs 7 { 0 };
|
|
lowCpCoeffs ( 3.49183 0.0661501 -0.000137716 1.32379e-07 -4.18179e-11 -29224 -18.4806 );
|
|
}
|
|
}
|
|
C3F7H__FC227EA
|
|
{
|
|
specie
|
|
{
|
|
molWeight 170.03;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 20.3196 0.0104619 -3.99352e-06 6.70977e-10 -4.12887e-14 -196070 -73.9088 );
|
|
lowCpCoeffs ( 3.19382 0.0564358 -4.24436e-05 6.01423e-09 4.21731e-12 -191303 14.797 );
|
|
}
|
|
}
|
|
HONC
|
|
{
|
|
specie
|
|
{
|
|
molWeight 43.0252;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.40215 0.00388925 -1.35174e-06 2.13425e-10 -1.25802e-14 26274.5 -2.27016 );
|
|
lowCpCoeffs ( 4.32474 0.00665109 -4.35817e-06 2.13099e-09 -6.08148e-13 26612.9 3.42338 );
|
|
}
|
|
}
|
|
C13H9__Phenalenyl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 165.217;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 23.518 0.0367313 -1.33789e-05 2.18094e-09 -1.31476e-13 20300.5 -105.863 );
|
|
lowCpCoeffs ( -2.43579 0.0664744 6.43511e-05 -1.47288e-07 6.78182e-11 29250 37.6466 );
|
|
}
|
|
}
|
|
NH2-_anion
|
|
{
|
|
specie
|
|
{
|
|
molWeight 16.0232;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.52181 0.0036759 -1.24505e-06 1.92558e-10 -1.11669e-14 11913 7.59867 );
|
|
lowCpCoeffs ( 4.27124 -0.0024457 6.58074e-06 -4.1345e-09 8.62277e-13 11522.8 -1.05327 );
|
|
}
|
|
}
|
|
CH
|
|
{
|
|
specie
|
|
{
|
|
molWeight 13.0191;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.52094 0.00176536 -4.61477e-07 5.92897e-11 -3.34745e-15 70994.9 7.40518 );
|
|
lowCpCoeffs ( 3.48976 0.000324322 -1.68998e-06 3.16284e-09 -1.40618e-12 70660.8 2.08428 );
|
|
}
|
|
}
|
|
C14H28O2_Myristcac
|
|
{
|
|
specie
|
|
{
|
|
molWeight 228.378;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 32.656 0.0847273 -3.0571e-05 4.94656e-09 -2.96508e-13 -98609.4 -142.267 );
|
|
lowCpCoeffs ( 16.0517 0.00279602 0.000344722 -4.50435e-07 1.78327e-10 -88016.6 -26.1463 );
|
|
}
|
|
}
|
|
CH3Cl+_cation
|
|
{
|
|
specie
|
|
{
|
|
molWeight 50.4875;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.27873 0.00753298 -2.65198e-06 4.22156e-10 -2.50194e-14 119922 1.83396 );
|
|
lowCpCoeffs ( 2.0256 0.0106177 1.15827e-06 -8.06319e-09 3.81847e-12 120715 14.2757 );
|
|
}
|
|
}
|
|
N2H2_equil_&_trans
|
|
{
|
|
specie
|
|
{
|
|
molWeight 30.0293;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 1.31115 0.00900187 -3.14912e-06 4.8145e-10 -2.71898e-14 23386.3 16.4091 );
|
|
lowCpCoeffs ( 4.91066 -0.0107792 3.86516e-05 -3.86502e-08 1.34852e-11 22824.2 0.0910273 );
|
|
}
|
|
}
|
|
F
|
|
{
|
|
specie
|
|
{
|
|
molWeight 18.9984;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.67163 -0.000174619 6.90665e-08 -1.19535e-11 7.52367e-16 8787.41 3.98426 );
|
|
lowCpCoeffs ( 2.41967 0.00293929 -8.92122e-06 9.91185e-09 -3.79472e-12 8757.32 4.7469 );
|
|
}
|
|
}
|
|
C6H6_BENZENE
|
|
{
|
|
specie
|
|
{
|
|
molWeight 78.1147;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 11.081 0.0207177 -7.52146e-06 1.22321e-09 -7.36091e-14 4306.41 -40.0413 );
|
|
lowCpCoeffs ( 0.504819 0.0185021 7.38346e-05 -1.18136e-07 5.0721e-11 8552.48 21.6413 );
|
|
}
|
|
}
|
|
C6H11O2_Caproyl_R
|
|
{
|
|
specie
|
|
{
|
|
molWeight 115.153;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 17.4898 0.0323572 -1.20639e-05 1.99196e-09 -1.21012e-13 -42148.1 -61.2607 );
|
|
lowCpCoeffs ( 6.96271 0.0141213 0.000111861 -1.5564e-07 6.23485e-11 -36897.4 4.65812 );
|
|
}
|
|
}
|
|
HCO-_Formyl_anion
|
|
{
|
|
specie
|
|
{
|
|
molWeight 29.0191;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.56796 0.00241316 -9.27188e-07 1.56352e-10 -9.64234e-15 -992.061 -0.528638 );
|
|
lowCpCoeffs ( 3.83643 -0.00195138 1.64322e-05 -1.90587e-08 6.94208e-12 -451.31 4.87652 );
|
|
}
|
|
}
|
|
H2SO4(L)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 98.0775;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 283.456;
|
|
Thigh 1000;
|
|
Tcommon 1000;
|
|
highCpCoeffs 7 { 0 };
|
|
lowCpCoeffs ( 9.96297 0.0216356 3.84914e-06 -3.71044e-09 1.30029e-12 -101859 -44.4865 );
|
|
}
|
|
}
|
|
H3PO3__O=PH(OH)2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 81.9959;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 10.5803 0.00605423 -2.05554e-06 3.19581e-10 -1.8641e-14 -102634 -26.2336 );
|
|
lowCpCoeffs ( -0.0786111 0.0435623 -4.91767e-05 2.35179e-08 -2.94503e-12 -100237 26.4469 );
|
|
}
|
|
}
|
|
HOT__Water-T1
|
|
{
|
|
specie
|
|
{
|
|
molWeight 64.9074;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.97982 0.00320126 -1.06443e-06 1.62735e-10 -9.36712e-15 -31215.7 6.47081 );
|
|
lowCpCoeffs ( 4.28946 -0.00314346 1.02329e-05 -8.74041e-09 2.63149e-12 -31421.2 0.427673 );
|
|
}
|
|
}
|
|
B2O3(cr)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 69.6202;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 723;
|
|
Tcommon 723;
|
|
highCpCoeffs 7 { 0 };
|
|
lowCpCoeffs ( 7.71435 0.00777472 -220807 0 0 -156552 -41.0222 );
|
|
}
|
|
}
|
|
C7H13_1-hepten4-yl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 97.1817;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 16.0018 0.0354427 -1.32165e-05 2.31246e-09 -1.53964e-13 7557.17 -44.4583 );
|
|
lowCpCoeffs ( 3.79165 0.040671 4.73502e-05 -9.16896e-08 4.01452e-11 12405 25.634 );
|
|
}
|
|
}
|
|
Cr7C3(S)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 400.005;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 2053;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 26.9326 0.00813787 1.71106e-07 2.14298e-10 -5.73919e-14 -28172.4 -132.914 );
|
|
lowCpCoeffs ( 1.2648 0.135086 -0.000236887 1.97375e-07 -6.14407e-11 -23973 -14.4012 );
|
|
}
|
|
}
|
|
FeCl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 91.3;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.66922 0.000172521 -5.96736e-08 8.54056e-12 -4.03422e-16 28797.8 4.32392 );
|
|
lowCpCoeffs ( 3.88408 0.00359784 -4.59981e-06 1.84069e-09 6.73993e-14 28912 7.96454 );
|
|
}
|
|
}
|
|
PbS(cr)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 239.254;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 100;
|
|
Thigh 298.15;
|
|
Tcommon 298.15;
|
|
highCpCoeffs 7 { 0 };
|
|
lowCpCoeffs ( 3.13415 0.0201005 -3.57034e-05 0 0 -13476.4 -11.2944 );
|
|
}
|
|
}
|
|
C9H20O_1-Nonanol
|
|
{
|
|
specie
|
|
{
|
|
molWeight 144.259;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 21.5051 0.0568251 -2.14322e-05 3.7949e-09 -2.55553e-13 -51569.4 -76.7343 );
|
|
lowCpCoeffs ( 2.52431 0.0868575 -1.36274e-06 -5.69336e-08 2.93518e-11 -45034 27.1543 );
|
|
}
|
|
}
|
|
NO2__cyclo_N(OO)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 46.0055;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.45921 0.00155554 -6.04009e-07 1.02552e-10 -6.3542e-15 40369.3 -2.74941 );
|
|
lowCpCoeffs ( 3.16384 0.00503834 3.5772e-06 -1.01783e-08 4.90582e-12 41117.3 9.73195 );
|
|
}
|
|
}
|
|
ZrF2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 129.217;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.73089 -0.000147722 3.60482e-07 -8.65135e-11 6.26621e-15 -69262.5 -4.55232 );
|
|
lowCpCoeffs ( 2.47841 0.0195379 -3.58343e-05 3.0633e-08 -9.9517e-12 -68476.2 15.4841 );
|
|
}
|
|
}
|
|
C5H7NO__CH3C(O)C
|
|
{
|
|
specie
|
|
{
|
|
molWeight 97.1176;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 13.7874 0.0227703 -8.22965e-06 1.3321e-09 -7.98428e-14 -17781.6 -40.3874 );
|
|
lowCpCoeffs ( 6.33337 0.0257629 2.90651e-05 -5.56626e-08 2.40816e-11 -14839 2.42135 );
|
|
}
|
|
}
|
|
C6H7+_C5H4-1-CH3
|
|
{
|
|
specie
|
|
{
|
|
molWeight 79.1221;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 11.5302 0.0220123 -7.8646e-06 1.26528e-09 -7.55728e-14 115206 -37.1651 );
|
|
lowCpCoeffs ( -1.46109 0.0501602 -1.7565e-05 -1.40099e-08 9.74331e-12 119212 31.9146 );
|
|
}
|
|
}
|
|
PFCl2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 120.878;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 9.17068 0.000866679 -3.43503e-07 5.90972e-11 -3.69487e-15 -64542.2 -15.9505 );
|
|
lowCpCoeffs ( 2.46477 0.0331255 -6.22463e-05 5.45628e-08 -1.81575e-11 -63326.6 15.4355 );
|
|
}
|
|
}
|
|
HT
|
|
{
|
|
specie
|
|
{
|
|
molWeight 48.908;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.79694 0.00118963 -3.18043e-07 4.17872e-11 -2.10427e-15 -2810.05 1.34027 );
|
|
lowCpCoeffs ( 3.47204 0.000367599 -1.34591e-06 1.94294e-09 -7.28462e-13 -3061.53 -2.43934 );
|
|
}
|
|
}
|
|
C3D4_Cyclopropen
|
|
{
|
|
specie
|
|
{
|
|
molWeight 44.0898;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.5981 0.00991579 -3.71969e-06 6.17743e-10 -3.77056e-14 27942.9 -22.9963 );
|
|
lowCpCoeffs ( 0.1159 0.0304749 -1.66249e-05 -3.03795e-09 4.44627e-12 30464.4 21.5878 );
|
|
}
|
|
}
|
|
ZrN(L)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 105.227;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 3225;
|
|
Thigh 6000;
|
|
Tcommon 3225;
|
|
highCpCoeffs ( 7.04503 0 0 0 0 -38828.4 -34.4398 );
|
|
lowCpCoeffs 7 { 0 };
|
|
}
|
|
}
|
|
CO2+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 44.0094;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.61293 0.0018983 -7.34596e-07 1.23976e-10 -7.57691e-15 111435 -5.65137 );
|
|
lowCpCoeffs ( 3.39306 0.00582301 4.37909e-08 -4.68235e-09 2.31552e-12 112170 6.39038 );
|
|
}
|
|
}
|
|
s-1-C10H7-C2H5
|
|
{
|
|
specie
|
|
{
|
|
molWeight 156.229;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 25.3698 0.0404594 -1.49784e-05 2.46402e-09 -1.49383e-13 -820.3 -114.46 );
|
|
lowCpCoeffs ( 0.0198406 0.0620844 7.79624e-05 -1.55438e-07 6.85371e-11 8475.15 28.0183 );
|
|
}
|
|
}
|
|
SB(s)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 121.75;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 904;
|
|
Tcommon 904;
|
|
highCpCoeffs 7 { 0 };
|
|
lowCpCoeffs ( 2.12274 0.00603818 -1.41051e-05 1.52518e-08 -5.38507e-12 -804.253 -7.91696 );
|
|
}
|
|
}
|
|
CClF2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 85.4609;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.02827 0.00201884 -7.90446e-07 1.3492e-10 -8.38987e-15 -35924.3 -12.6213 );
|
|
lowCpCoeffs ( 2.23328 0.0207401 -2.34004e-05 1.18983e-08 -2.08808e-12 -34478.2 16.5916 );
|
|
}
|
|
}
|
|
CH2BrF
|
|
{
|
|
specie
|
|
{
|
|
molWeight 112.926;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.95778 0.00632499 -2.28673e-06 3.70769e-10 -2.22637e-14 -27986.9 -3.41284 );
|
|
lowCpCoeffs ( 3.57972 0.00357449 2.3036e-05 -3.39966e-08 1.4151e-11 -26917.3 11.0158 );
|
|
}
|
|
}
|
|
C7H10_55C5H4(CH3)2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 94.1578;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 13.5514 0.0303232 -1.08197e-05 1.73886e-09 -1.03773e-13 2884.66 -49.3146 );
|
|
lowCpCoeffs ( 2.65601 0.030335 6.15714e-05 -1.04737e-07 4.48648e-11 7269.07 13.9904 );
|
|
}
|
|
}
|
|
C2H2-_Vinylidene-
|
|
{
|
|
specie
|
|
{
|
|
molWeight 26.0388;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.23406 0.00523166 -1.90208e-06 3.09416e-10 -1.86175e-14 41469.4 0.880206 );
|
|
lowCpCoeffs ( 2.71198 0.0067692 1.3483e-06 -5.17293e-09 2.1979e-12 42066.6 9.50497 );
|
|
}
|
|
}
|
|
C3H3ON_Isoxazole
|
|
{
|
|
specie
|
|
{
|
|
molWeight 69.0635;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.78889 0.0118769 -4.30209e-06 6.98839e-10 -4.20309e-14 5618.52 -23.2527 );
|
|
lowCpCoeffs ( 1.73904 0.00641862 6.52785e-05 -9.81241e-08 4.17085e-11 8559.63 18.6174 );
|
|
}
|
|
}
|
|
C10H16_exo_(JP-10)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 136.239;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 18.1657 0.0517747 -1.86809e-05 3.025e-09 -1.81484e-13 -20050.6 -82.4466 );
|
|
lowCpCoeffs ( 2.85948 0.00235106 0.000251226 -3.40667e-07 1.38333e-10 -11781.5 17.6905 );
|
|
}
|
|
}
|
|
C4H8S_T.H.Thiophen
|
|
{
|
|
specie
|
|
{
|
|
molWeight 88.1724;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 10.2696 0.0241009 -8.73271e-06 1.41782e-09 -8.52094e-14 -9205.97 -32.5083 );
|
|
lowCpCoeffs ( 2.89632 0.00693464 9.84298e-05 -1.37729e-07 5.64384e-11 -5488.45 14.2611 );
|
|
}
|
|
}
|
|
SF6-
|
|
{
|
|
specie
|
|
{
|
|
molWeight 146.055;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 15.7973 0.00333205 -1.31714e-06 2.26211e-10 -1.41262e-14 -167023 -56.3991 );
|
|
lowCpCoeffs ( -3.41295 0.0837323 -0.000135505 1.04328e-07 -3.11181e-11 -163088 36.0695 );
|
|
}
|
|
}
|
|
HNO3
|
|
{
|
|
specie
|
|
{
|
|
molWeight 63.0129;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.03099 0.00446959 -1.72459e-06 2.91556e-10 -1.80103e-14 -19313.8 -16.2617 );
|
|
lowCpCoeffs ( 1.69329 0.0190168 -8.25177e-06 -6.06114e-09 4.65237e-12 -17419.9 17.184 );
|
|
}
|
|
}
|
|
Zr(a)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 91.22;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 1135;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.2812 0.00146972 -1.04658e-08 0 0 -661.803 -8.57377 );
|
|
lowCpCoeffs ( 2.18289 0.00542886 -1.21464e-05 1.31133e-08 -4.83818e-12 -808.441 -8.94742 );
|
|
}
|
|
}
|
|
CNC
|
|
{
|
|
specie
|
|
{
|
|
molWeight 38.029;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.9322 0.00157956 -6.12496e-07 1.03897e-10 -6.43335e-15 79242.2 -6.60235 );
|
|
lowCpCoeffs ( 3.98663 0.00523128 -6.00389e-07 -3.37883e-09 1.75803e-12 79875.6 3.8992 );
|
|
}
|
|
}
|
|
C5H5OH_Cyclo-1,4
|
|
{
|
|
specie
|
|
{
|
|
molWeight 82.103;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.1108 0.0187471 -6.67696e-06 1.07228e-09 -6.39752e-14 -10651.8 -40.2092 );
|
|
lowCpCoeffs ( -0.603126 0.0376204 2.01258e-05 -6.24428e-08 3.04889e-11 -6540.57 28.8741 );
|
|
}
|
|
}
|
|
C6H4Cl2_m-Clbenzen
|
|
{
|
|
specie
|
|
{
|
|
molWeight 147.005;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 15.6285 0.0166612 -6.06792e-06 9.89162e-10 -5.96345e-14 -4016.8 -55.6446 );
|
|
lowCpCoeffs ( 1.344 0.0431093 3.1899e-06 -4.32651e-08 2.27732e-11 454.694 20.9953 );
|
|
}
|
|
}
|
|
C2H5S_ethyl_thio
|
|
{
|
|
specie
|
|
{
|
|
molWeight 61.1262;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.06146 0.0135097 -4.7981e-06 7.68421e-10 -4.57369e-14 8871.47 -5.21761 );
|
|
lowCpCoeffs ( 4.12081 0.00677996 2.82399e-05 -3.90231e-08 1.53781e-11 10027.4 7.80654 );
|
|
}
|
|
}
|
|
C7H13__Cyheptanyl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 97.1817;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 13.1617 0.0399782 -1.43822e-05 2.32398e-09 -1.3921e-13 1657.27 -48.5664 );
|
|
lowCpCoeffs ( 5.08195 0.00318393 0.000158331 -2.08396e-07 8.2742e-11 6666.99 7.20436 );
|
|
}
|
|
}
|
|
N+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 14.0062;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.51211 1.75367e-06 -1.50558e-08 7.06834e-12 -6.31861e-16 225597 4.92236 );
|
|
lowCpCoeffs ( 2.79781 -0.00141287 2.68687e-06 -2.31616e-09 7.49586e-13 225549 3.59929 );
|
|
}
|
|
}
|
|
C6H11__Cyhexyl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 83.1546;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 11.2405 0.0336562 -1.21056e-05 1.95589e-09 -1.17152e-13 2563.82 -39.4449 );
|
|
lowCpCoeffs ( 3.79371 0.00421886 0.00013352 -1.78159e-07 7.12566e-11 6941.49 10.8153 );
|
|
}
|
|
}
|
|
PbO2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 239.189;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.94193 0.000582749 -2.30858e-07 3.97036e-11 -2.48173e-15 14138.7 -8.65827 );
|
|
lowCpCoeffs ( 2.99336 0.0180665 -3.11442e-05 2.53518e-08 -7.93639e-12 14908.7 10.1365 );
|
|
}
|
|
}
|
|
C(NO)-_cy
|
|
{
|
|
specie
|
|
{
|
|
molWeight 42.0178;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.45287 0.00153855 -5.92125e-07 9.99715e-11 -6.17093e-15 51579.5 -2.53697 );
|
|
lowCpCoeffs ( 3.06522 0.0091997 -1.06439e-05 6.62438e-09 -1.75226e-12 52205.3 9.58279 );
|
|
}
|
|
}
|
|
o-C6H5BrO_trans_E
|
|
{
|
|
specie
|
|
{
|
|
molWeight 173.007;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 15.5478 0.0186289 -6.70054e-06 1.08345e-09 -6.4958e-14 -15244.9 -54.1638 );
|
|
lowCpCoeffs ( 0.433234 0.0507093 -1.12062e-05 -2.88661e-08 1.74244e-11 -10679.2 26.0269 );
|
|
}
|
|
}
|
|
Ir_(g)_Iridium
|
|
{
|
|
specie
|
|
{
|
|
molWeight 192.2;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 1.54357 0.00176571 -5.57104e-07 8.09797e-11 -4.32707e-15 80153.2 14.2271 );
|
|
lowCpCoeffs ( 2.49366 0.000245099 -1.47705e-06 2.80386e-09 -1.23675e-12 79835.8 9.04518 );
|
|
}
|
|
}
|
|
NO2+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 46.005;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.3474 0.0025104 -9.39356e-07 1.54999e-10 -9.19955e-15 114465 2.74114 );
|
|
lowCpCoeffs ( 3.56214 0.00343629 -1.19401e-07 -1.31592e-09 5.01139e-13 114780 7.19236 );
|
|
}
|
|
}
|
|
C2H3Cl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 62.4992;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.32341 0.00852343 -3.04198e-06 4.88915e-10 -2.91775e-14 -46.492 -7.74959 );
|
|
lowCpCoeffs ( 2.27191 0.0125087 1.21344e-05 -2.73078e-08 1.26574e-11 1365.44 14.7576 );
|
|
}
|
|
}
|
|
MgCO3(L)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 84.3213;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 1263;
|
|
Thigh 6000;
|
|
Tcommon 1263;
|
|
highCpCoeffs ( 18.0408 0 0 0 0 -133648 -96.1554 );
|
|
lowCpCoeffs 7 { 0 };
|
|
}
|
|
}
|
|
Fe(CO)5
|
|
{
|
|
specie
|
|
{
|
|
molWeight 195.9;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 21.8145 0.00888688 -3.33886e-06 5.57092e-10 -3.41062e-14 -95075.7 -75.5145 );
|
|
lowCpCoeffs ( 1.32844 0.114541 -0.00022444 2.11015e-07 -7.45587e-11 -91425.7 19.3738 );
|
|
}
|
|
}
|
|
CHClF
|
|
{
|
|
specie
|
|
{
|
|
molWeight 67.4705;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.57304 0.00297339 -1.02226e-06 1.55128e-10 -8.54328e-15 -12409.5 -5.1201 );
|
|
lowCpCoeffs ( 3.34095 0.0106703 -3.9451e-06 -4.88727e-09 3.49195e-12 -11491 11.7766 );
|
|
}
|
|
}
|
|
C2H2F3
|
|
{
|
|
specie
|
|
{
|
|
molWeight 83.0334;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 10.4197 0.0073677 -2.69156e-06 4.3959e-10 -2.65341e-14 -66231.1 -26.9446 );
|
|
lowCpCoeffs ( 1.3389 0.0359382 -3.61256e-05 1.69891e-08 -2.63169e-12 -63907.3 19.0645 );
|
|
}
|
|
}
|
|
C6H5I+_Iodobenze
|
|
{
|
|
specie
|
|
{
|
|
molWeight 204.011;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 13.5195 0.018358 -6.63399e-06 1.07573e-09 -6.46117e-14 115779 -44.0305 );
|
|
lowCpCoeffs ( -1.55038 0.0552579 -3.06642e-05 -3.3496e-09 6.56094e-12 120190 35.0022 );
|
|
}
|
|
}
|
|
C32H14_Ovalene
|
|
{
|
|
specie
|
|
{
|
|
molWeight 398.468;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 54.9562 0.0752789 -2.7831e-05 4.58158e-09 -2.78073e-13 23927 -284.39 );
|
|
lowCpCoeffs ( -9.11404 0.175206 6.56544e-05 -2.4252e-07 1.17481e-10 45095.4 64.4489 );
|
|
}
|
|
}
|
|
CBr2_Radical
|
|
{
|
|
specie
|
|
{
|
|
molWeight 171.813;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 7.24933 -0.000858903 5.63434e-07 -9.47618e-11 4.79033e-15 38968.4 -6.85243 );
|
|
lowCpCoeffs ( 2.95656 0.0169562 -3.03146e-05 2.54005e-08 -8.13474e-12 39900.4 13.9614 );
|
|
}
|
|
}
|
|
MnO_(S)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 70.9374;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 2115;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 13.5627 -0.0223122 2.45012e-05 -1.09793e-08 1.74987e-12 -50252.3 -66.0188 );
|
|
lowCpCoeffs ( 2.56643 0.0155786 -2.79739e-05 2.42199e-08 -7.86884e-12 -47585.8 -11.0409 );
|
|
}
|
|
}
|
|
C2H5N3_Ethyl_Azyd
|
|
{
|
|
specie
|
|
{
|
|
molWeight 71.0823;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.45448 0.0182737 -6.90154e-06 1.13973e-09 -6.90183e-14 27914 -18.9069 );
|
|
lowCpCoeffs ( 3.12866 0.0166009 3.04097e-05 -4.97574e-08 2.05156e-11 30246.5 12.7193 );
|
|
}
|
|
}
|
|
C5H8__CycloPente
|
|
{
|
|
specie
|
|
{
|
|
molWeight 68.1195;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.9146 0.0249545 -8.95888e-06 1.44576e-09 -8.65296e-14 -643.701 -26.8477 );
|
|
lowCpCoeffs ( 3.36332 -0.00400404 0.00012608 -1.65877e-07 6.67069e-11 2845.78 12.014 );
|
|
}
|
|
}
|
|
CH2N2_cy(-CH=N-NH)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 42.0405;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.40396 0.00665047 -2.36584e-06 3.79549e-10 -2.26261e-14 45593.4 -3.9535 );
|
|
lowCpCoeffs ( 3.17248 0.00253367 2.71936e-05 -3.91007e-08 1.62465e-11 46646.4 9.89092 );
|
|
}
|
|
}
|
|
ZrCl2________GAS
|
|
{
|
|
specie
|
|
{
|
|
molWeight 162.126;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 7.4769 -0.000390078 4.49588e-07 -1.00593e-10 7.07248e-15 -24612.5 -7.46274 );
|
|
lowCpCoeffs ( 4.34059 0.0163564 -3.42884e-05 3.23312e-08 -1.12969e-11 -24117.2 6.84007 );
|
|
}
|
|
}
|
|
C4H9NO2_Nitrobuta
|
|
{
|
|
specie
|
|
{
|
|
molWeight 103.122;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 15.2439 0.02595 -9.64092e-06 1.58616e-09 -9.60738e-14 -25653.1 -50.731 );
|
|
lowCpCoeffs ( 5.92127 0.0142653 8.76812e-05 -1.26032e-07 5.12069e-11 -21285 6.40493 );
|
|
}
|
|
}
|
|
Cr3C2(S)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 180.01;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 2168;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 14.3804 0.00240335 9.15437e-07 -2.48561e-10 2.79849e-14 -15090.2 -73.4862 );
|
|
lowCpCoeffs ( -1.6814 0.0744936 -0.00012215 9.39506e-08 -2.71337e-11 -12169 2.29813 );
|
|
}
|
|
}
|
|
PCl5
|
|
{
|
|
specie
|
|
{
|
|
molWeight 208.239;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 15.0501 0.00100185 -3.99231e-07 6.89293e-11 -4.32017e-15 -49981.6 -42.4413 );
|
|
lowCpCoeffs ( 3.45058 0.0635382 -0.000131518 1.23185e-07 -4.29385e-11 -48136.2 10.4029 );
|
|
}
|
|
}
|
|
N4-_tetrahedral
|
|
{
|
|
specie
|
|
{
|
|
molWeight 56.0273;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 7.86138 0.00219181 -8.58586e-07 1.46591e-10 -9.11718e-15 87666.4 -16.7098 );
|
|
lowCpCoeffs ( 1.07362 0.025264 -3.14211e-05 1.88472e-08 -4.4317e-12 89314.9 17.2596 );
|
|
}
|
|
}
|
|
O4-_cyclo_anion
|
|
{
|
|
specie
|
|
{
|
|
molWeight 63.9981;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.00619 0.00202028 -7.86173e-07 1.3367e-10 -8.29026e-15 -14440.2 -15.1238 );
|
|
lowCpCoeffs ( 3.76743 0.0152352 -1.67051e-05 8.9968e-09 -1.92868e-12 -13334.3 6.42681 );
|
|
}
|
|
}
|
|
C6H5NO_Nitrosobe
|
|
{
|
|
specie
|
|
{
|
|
molWeight 107.113;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 15.2438 0.0194809 -7.13914e-06 1.16501e-09 -7.02444e-14 16786.6 -56.1776 );
|
|
lowCpCoeffs ( 1.68039 0.0292539 5.20478e-05 -9.72307e-08 4.29288e-11 21733.6 20.1972 );
|
|
}
|
|
}
|
|
CClF3___FC-13
|
|
{
|
|
specie
|
|
{
|
|
molWeight 104.459;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 10.091 0.00297814 -1.16599e-06 1.99016e-10 -1.23754e-14 -89071.5 -25.2798 );
|
|
lowCpCoeffs ( 1.20857 0.0331175 -4.09171e-05 2.42832e-08 -5.6024e-12 -86911.4 19.1837 );
|
|
}
|
|
}
|
|
P2O4
|
|
{
|
|
specie
|
|
{
|
|
molWeight 125.945;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.2628 0.00379642 -1.47958e-06 2.5181e-10 -1.56277e-14 -116718 -34.7023 );
|
|
lowCpCoeffs ( 2.79393 0.0365929 -4.77256e-05 3.19497e-08 -8.79507e-12 -114401 12.6621 );
|
|
}
|
|
}
|
|
CON3___Radical
|
|
{
|
|
specie
|
|
{
|
|
molWeight 70.0307;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.48006 0.00437741 -1.65815e-06 2.77125e-10 -1.69887e-14 39237.4 -14.8192 );
|
|
lowCpCoeffs ( 3.12287 0.0216723 -2.46112e-05 1.53311e-08 -4.05562e-12 40642.4 12.3603 );
|
|
}
|
|
}
|
|
C5H6_3-ene-1yne,
|
|
{
|
|
specie
|
|
{
|
|
molWeight 66.1036;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 10.4173 0.0180133 -6.50395e-06 1.05341e-09 -6.32007e-14 25582.3 -29.9117 );
|
|
lowCpCoeffs ( 1.45851 0.0352708 -6.11387e-06 -1.78896e-08 1.0191e-11 28467.3 18.2718 );
|
|
}
|
|
}
|
|
CI2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 265.82;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 7.37558 -0.00101302 6.33001e-07 -1.07073e-10 5.53296e-15 53979.5 -5.59835 );
|
|
lowCpCoeffs ( 3.18998 0.0175119 -3.37421e-05 2.9997e-08 -1.00629e-11 54848.6 14.4597 );
|
|
}
|
|
}
|
|
NH
|
|
{
|
|
specie
|
|
{
|
|
molWeight 15.0147;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.78373 0.00132986 -4.24786e-07 7.83494e-11 -5.50451e-15 42346.2 5.74085 );
|
|
lowCpCoeffs ( 3.49295 0.000311796 -1.48907e-06 2.48167e-09 -1.03571e-12 42106 1.84835 );
|
|
}
|
|
}
|
|
C5H9O2_MeButyratC4
|
|
{
|
|
specie
|
|
{
|
|
molWeight 101.126;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 14.4197 0.0265986 -9.7405e-06 1.58737e-09 -9.55186e-14 -37075.2 -42.3734 );
|
|
lowCpCoeffs ( 8.02753 0.00991524 8.45156e-05 -1.16054e-07 4.63658e-11 -33641.8 -1.06409 );
|
|
}
|
|
}
|
|
HNO-
|
|
{
|
|
specie
|
|
{
|
|
molWeight 31.0146;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.83436 0.00296605 -1.10047e-06 1.81427e-10 -1.10176e-14 7111.27 4.47623 );
|
|
lowCpCoeffs ( 4.0979 -0.00308214 1.51571e-05 -1.5637e-08 5.33449e-12 7338.14 4.51158 );
|
|
}
|
|
}
|
|
CHF+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 32.017;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.60941 0.00302565 -1.08829e-06 1.75769e-10 -1.05234e-14 133812 5.63088 );
|
|
lowCpCoeffs ( 4.00235 -0.00194988 1.13295e-05 -1.16015e-08 3.93157e-12 133924 4.6234 );
|
|
}
|
|
}
|
|
C10H8__AZULENE
|
|
{
|
|
specie
|
|
{
|
|
molWeight 128.175;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 17.9532 0.0310447 -1.13382e-05 1.85118e-09 -1.11706e-13 24639.2 -75.1628 );
|
|
lowCpCoeffs ( -0.627409 0.0405369 8.4064e-05 -1.5093e-07 6.63559e-11 31574.8 30.3043 );
|
|
}
|
|
}
|
|
PF2Cl3
|
|
{
|
|
specie
|
|
{
|
|
molWeight 175.33;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 14.4026 0.00167176 -6.63149e-07 1.14153e-10 -7.13977e-15 -110446 -42.8231 );
|
|
lowCpCoeffs ( 0.760529 0.0680672 -0.000129197 1.13972e-07 -3.80842e-11 -108006 20.851 );
|
|
}
|
|
}
|
|
C8_linear_triplet
|
|
{
|
|
specie
|
|
{
|
|
molWeight 96.0892;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 14.0849 0.00815423 -3.08961e-06 5.16437e-10 -3.16619e-14 176851 -47.8224 );
|
|
lowCpCoeffs ( 3.14179 0.0514027 -7.82216e-05 6.51159e-08 -2.18045e-11 179419 5.9977 );
|
|
}
|
|
}
|
|
CCl3O*
|
|
{
|
|
specie
|
|
{
|
|
molWeight 134.37;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.1094 0.000936188 -3.72343e-07 6.4205e-11 -4.02053e-15 -6081.49 -29.8032 );
|
|
lowCpCoeffs ( 2.65171 0.0501861 -0.000101041 9.29329e-08 -3.1996e-11 -4511.23 13.6545 );
|
|
}
|
|
}
|
|
C6H4N4O2_4-Nitro
|
|
{
|
|
specie
|
|
{
|
|
molWeight 164.124;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 21.8952 0.0216719 -8.19158e-06 1.36294e-09 -8.31999e-14 37549 -84.6635 );
|
|
lowCpCoeffs ( 2.14106 0.0648319 -2.2292e-05 -2.47067e-08 1.66809e-11 43587.8 20.1821 );
|
|
}
|
|
}
|
|
NiO(cr)A
|
|
{
|
|
specie
|
|
{
|
|
molWeight 74.7094;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 525;
|
|
Tcommon 298;
|
|
highCpCoeffs 7 { 0 };
|
|
lowCpCoeffs ( -15.7325 0.179861 -0.000557052 7.23394e-07 -2.80704e-10 -28508.2 59.5039 );
|
|
}
|
|
}
|
|
C3H6O2_EthylFormat
|
|
{
|
|
specie
|
|
{
|
|
molWeight 74.0801;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.65737 0.0190387 -6.86671e-06 1.10735e-09 -6.61563e-14 -49631.5 -17.0491 );
|
|
lowCpCoeffs ( 5.59041 0.00242724 6.61618e-05 -8.61264e-08 3.38174e-11 -47569.9 4.84087 );
|
|
}
|
|
}
|
|
C6HCl3OH__3-YL_RAD
|
|
{
|
|
specie
|
|
{
|
|
molWeight 196.441;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 20.72 0.0118233 -4.36636e-06 7.1877e-10 -4.36384e-14 4250.93 -75.0785 );
|
|
lowCpCoeffs ( 0.31211 0.0816782 -9.99656e-05 6.30327e-08 -1.62054e-11 9251.65 27.1083 );
|
|
}
|
|
}
|
|
s-1,3-C6H4_BENZYNE
|
|
{
|
|
specie
|
|
{
|
|
molWeight 76.0988;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 11.0823 0.015205 -5.50413e-06 8.93544e-10 -5.37122e-14 57878.8 -35.9993 );
|
|
lowCpCoeffs ( 0.190321 0.0291815 2.38253e-05 -5.98452e-08 2.8271e-11 61525.8 23.7633 );
|
|
}
|
|
}
|
|
CCl3
|
|
{
|
|
specie
|
|
{
|
|
molWeight 118.37;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.86168 0.00118055 -4.65765e-07 7.98916e-11 -4.98464e-15 5601.93 -15.7462 );
|
|
lowCpCoeffs ( 2.66358 0.0271296 -4.42403e-05 3.46851e-08 -1.05867e-11 6882.02 14.1173 );
|
|
}
|
|
}
|
|
GeCl3
|
|
{
|
|
specie
|
|
{
|
|
molWeight 178.949;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 9.66739 0.000352084 -1.4061e-07 2.43121e-11 -1.52528e-15 -31166.1 -14.6964 );
|
|
lowCpCoeffs ( 4.8775 0.027269 -5.82615e-05 5.57079e-08 -1.96912e-11 -30444 6.89577 );
|
|
}
|
|
}
|
|
C14H6N6O12_HNS
|
|
{
|
|
specie
|
|
{
|
|
molWeight 450.237;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 65.5884 0.0418322 -1.67061e-05 2.87247e-09 -1.79132e-13 1457.07 -306.013 );
|
|
lowCpCoeffs ( 7.35142 0.152248 -3.6908e-06 -1.32914e-07 7.04139e-11 19976 6.96546 );
|
|
}
|
|
}
|
|
SiHCl3
|
|
{
|
|
specie
|
|
{
|
|
molWeight 135.453;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 10.1773 0.00274234 -1.0413e-06 1.74343e-10 -1.07022e-14 -63151.2 -21.7895 );
|
|
lowCpCoeffs ( 2.15273 0.0382474 -6.49166e-05 5.38067e-08 -1.72482e-11 -61547.9 16.5071 );
|
|
}
|
|
}
|
|
C3H6O2__Glycidol
|
|
{
|
|
specie
|
|
{
|
|
molWeight 74.0801;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 10.3094 0.0172096 -6.11612e-06 9.80637e-10 -5.84379e-14 -33670.3 -27.8188 );
|
|
lowCpCoeffs ( 3.21009 0.0125974 5.89962e-05 -9.09895e-08 3.8511e-11 -30690.3 14.2923 );
|
|
}
|
|
}
|
|
PbS
|
|
{
|
|
specie
|
|
{
|
|
molWeight 239.254;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.8938 0.00122928 -8.24356e-07 2.27321e-10 -1.79568e-14 14210.8 7.7822 );
|
|
lowCpCoeffs ( 2.94557 0.0079115 -1.62641e-05 1.52039e-08 -5.28885e-12 14274.5 11.6955 );
|
|
}
|
|
}
|
|
C2H6S2_(CH3SSCH3)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 94.1981;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.66745 0.0153613 -5.38419e-06 8.48499e-10 -4.98817e-14 -5829.73 -11.5626 );
|
|
lowCpCoeffs ( 6.42098 0.0110346 2.22539e-05 -3.4078e-08 1.38118e-11 -4673.29 2.6399 );
|
|
}
|
|
}
|
|
PbBr3
|
|
{
|
|
specie
|
|
{
|
|
molWeight 446.893;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 9.87687 0.000130906 -5.2408e-08 9.07643e-12 -5.70074e-16 -15483.9 -10.0396 );
|
|
lowCpCoeffs ( 7.63531 0.0135414 -3.02742e-05 2.98095e-08 -1.07481e-11 -15174.3 -0.101579 );
|
|
}
|
|
}
|
|
C2H4F2__HFC-152
|
|
{
|
|
specie
|
|
{
|
|
molWeight 66.051;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 10.0316 0.0111994 -4.26519e-06 7.11447e-10 -4.35029e-14 -58819.2 -28.5865 );
|
|
lowCpCoeffs ( 5.58944 -0.0113537 9.78443e-05 -1.22111e-07 4.76646e-11 -55973 2.61082 );
|
|
}
|
|
}
|
|
PF-
|
|
{
|
|
specie
|
|
{
|
|
molWeight 49.9727;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.31618 0.000238733 -8.20998e-08 1.43579e-11 -8.22787e-16 -21062 2.34484 );
|
|
lowCpCoeffs ( 3.59379 0.00303965 -4.42473e-06 3.17638e-09 -8.98743e-13 -20903.4 5.87584 );
|
|
}
|
|
}
|
|
OCCN
|
|
{
|
|
specie
|
|
{
|
|
molWeight 54.0284;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.73207 0.00316536 -1.21983e-06 2.11386e-10 -1.32958e-14 22924.3 -6.22708 );
|
|
lowCpCoeffs ( 4.17832 0.013029 -1.93105e-05 1.71822e-08 -6.2033e-12 23571.8 6.48584 );
|
|
}
|
|
}
|
|
C6H10,cyclo-
|
|
{
|
|
specie
|
|
{
|
|
molWeight 82.1466;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 11.7733 0.0309484 -1.12347e-05 1.82632e-09 -1.09856e-13 -7202.59 -42.6551 );
|
|
lowCpCoeffs ( 2.36637 0.0106805 0.000118224 -1.65681e-07 6.76138e-11 -2482.51 16.7688 );
|
|
}
|
|
}
|
|
C5H9O2_RadMeButyr
|
|
{
|
|
specie
|
|
{
|
|
molWeight 101.126;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 14.5159 0.0264378 -9.6809e-06 1.57834e-09 -9.50195e-14 -37951.8 -43.4226 );
|
|
lowCpCoeffs ( 7.14542 0.016451 6.84512e-05 -9.96211e-08 4.03297e-11 -34417 2.03842 );
|
|
}
|
|
}
|
|
Mn3O4__Solid-B
|
|
{
|
|
specie
|
|
{
|
|
molWeight 228.812;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 1445;
|
|
Thigh 1835;
|
|
Tcommon 1445;
|
|
highCpCoeffs ( 21.8396 0.00824501 -7.43602e-06 2.97587e-09 -4.45964e-13 -174632 -112.001 );
|
|
lowCpCoeffs 7 { 0 };
|
|
}
|
|
}
|
|
C21H42O2_MeArchid
|
|
{
|
|
specie
|
|
{
|
|
molWeight 326.568;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 48.8565 0.126327 -4.92918e-05 8.79677e-09 -5.89822e-13 -119025 -214.361 );
|
|
lowCpCoeffs ( 6.26695 0.182479 2.95586e-05 -1.58423e-07 7.40259e-11 -103913 21.1857 );
|
|
}
|
|
}
|
|
C6H9_b
|
|
{
|
|
specie
|
|
{
|
|
molWeight 81.1386;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.9128 0.0249789 -8.89951e-06 1.42497e-09 -8.47615e-14 25905.6 -36.4451 );
|
|
lowCpCoeffs ( 4.61356 0.0258846 4.54509e-05 -8.10845e-08 3.54679e-11 29152.1 11.4182 );
|
|
}
|
|
}
|
|
C6H12_4MP-2en_cis
|
|
{
|
|
specie
|
|
{
|
|
molWeight 84.1625;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 10.8919 0.0344486 -1.23253e-05 1.98034e-09 -1.18063e-13 -12907.9 -29.1076 );
|
|
lowCpCoeffs ( 9.28609 -0.0103557 0.000143043 -1.7393e-07 6.68338e-11 -10102.2 -8.99591 );
|
|
}
|
|
}
|
|
MgTiO3(cr)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 120.21;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 1953;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 9.77678 0.0115846 -8.46069e-06 3.13777e-09 -4.26428e-13 -191405 -50.246 );
|
|
lowCpCoeffs ( -6.11484 0.113563 -0.000265695 3.0045e-07 -1.31314e-10 -189302 19.3629 );
|
|
}
|
|
}
|
|
P-
|
|
{
|
|
specie
|
|
{
|
|
molWeight 30.9743;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.56765 -7.07422e-05 2.80681e-08 -4.83328e-12 3.02407e-16 27979.7 5.77584 );
|
|
lowCpCoeffs ( 3.12923 -0.00261966 4.59247e-06 -3.75078e-09 1.16919e-12 27873.8 3.11973 );
|
|
}
|
|
}
|
|
CH3C(O)O-NO2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 105.051;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 13.0727 0.0134926 -5.15307e-06 8.61746e-10 -5.275e-14 -42001.5 -38.2748 );
|
|
lowCpCoeffs ( 4.58678 0.0257381 7.22442e-06 -2.89638e-08 1.36357e-11 -39045.5 8.42921 );
|
|
}
|
|
}
|
|
C2H2_acetylene
|
|
{
|
|
specie
|
|
{
|
|
molWeight 26.0382;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.65878 0.00488397 -1.60829e-06 2.46975e-10 -1.38606e-14 25759.4 -3.99838 );
|
|
lowCpCoeffs ( 0.80868 0.0233616 -3.55172e-05 2.80153e-08 -8.50075e-12 26429 13.9397 );
|
|
}
|
|
}
|
|
AlF3
|
|
{
|
|
specie
|
|
{
|
|
molWeight 83.9767;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.72584 0.00131747 -5.1884e-07 8.88893e-11 -5.54146e-15 -148385 -17.4908 );
|
|
lowCpCoeffs ( 3.10961 0.0222465 -3.11755e-05 2.08483e-08 -5.42097e-12 -147121 10.1382 );
|
|
}
|
|
}
|
|
H3B3O3
|
|
{
|
|
specie
|
|
{
|
|
molWeight 83.4551;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 11.8315 0.0125459 -4.70525e-06 7.81332e-10 -4.76876e-14 -150058 -39.3407 );
|
|
lowCpCoeffs ( 2.79145 0.015041 4.80192e-05 -8.00844e-08 3.46384e-11 -146561 12.5318 );
|
|
}
|
|
}
|
|
CH3I
|
|
{
|
|
specie
|
|
{
|
|
molWeight 141.939;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.44377 0.00745524 -2.63962e-06 4.21796e-10 -2.50646e-14 -190.141 2.47914 );
|
|
lowCpCoeffs ( 3.27038 0.00304939 2.00287e-05 -2.82752e-08 1.15829e-11 482.743 10.3201 );
|
|
}
|
|
}
|
|
C12H4Cl4O2_1379
|
|
{
|
|
specie
|
|
{
|
|
molWeight 321.976;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 35.5069 0.0268394 -1.00119e-05 1.65799e-09 -1.01045e-13 -35478.9 -153.819 );
|
|
lowCpCoeffs ( 1.29548 0.115738 -7.75001e-05 2.00768e-09 1.23499e-11 -25798.5 24.1215 );
|
|
}
|
|
}
|
|
C3H3N3_TRIAZINE
|
|
{
|
|
specie
|
|
{
|
|
molWeight 81.0775;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 9.53951 0.0141995 -5.21206e-06 8.53955e-10 -5.16599e-14 22384 -28.5582 );
|
|
lowCpCoeffs ( 3.07934 0.00222527 7.77242e-05 -1.07423e-07 4.3723e-11 25500.1 11.7216 );
|
|
}
|
|
}
|
|
C14H9_4-Phenantr
|
|
{
|
|
specie
|
|
{
|
|
molWeight 177.228;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 26.8173 0.0376936 -1.45586e-05 2.58487e-09 -1.73198e-13 41440.6 -121.548 );
|
|
lowCpCoeffs ( -10.893 0.141537 -0.000114206 3.5771e-08 0 52113.6 73.7137 );
|
|
}
|
|
}
|
|
HNNH+_cis
|
|
{
|
|
specie
|
|
{
|
|
molWeight 30.0288;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.85535 0.00522549 -1.81889e-06 2.87172e-10 -1.69168e-14 137635 3.15154 );
|
|
lowCpCoeffs ( 2.10075 0.0115575 -1.13014e-05 7.05067e-09 -1.87526e-12 138065 11.8913 );
|
|
}
|
|
}
|
|
C2(NO2)6_HexaNit
|
|
{
|
|
specie
|
|
{
|
|
molWeight 300.055;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 44.591 0.0134251 -6.44998e-06 1.20668e-09 -7.88597e-14 286.586 -189.446 );
|
|
lowCpCoeffs ( 8.62432 0.121633 -0.000140858 8.72738e-08 -2.39798e-11 10215.1 -4.71547 );
|
|
}
|
|
}
|
|
P2H2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 63.9635;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.72552 0.00402305 -1.49706e-06 2.47306e-10 -1.50397e-14 11996.6 -4.4272 );
|
|
lowCpCoeffs ( 1.89155 0.016778 -1.84659e-05 1.07694e-08 -2.48921e-12 12973.7 14.8976 );
|
|
}
|
|
}
|
|
FO2__O-F-O
|
|
{
|
|
specie
|
|
{
|
|
molWeight 50.9972;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.49649 0.000638828 -2.77513e-07 5.02594e-11 -3.24465e-15 60387.6 -7.76169 );
|
|
lowCpCoeffs ( 3.29857 0.00270051 1.70485e-05 -2.9321e-08 1.31783e-11 61485.8 10.0991 );
|
|
}
|
|
}
|
|
HCl+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 36.4604;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.83308 0.00147547 -4.91682e-07 7.6092e-11 -4.24778e-15 136705 6.78326 );
|
|
lowCpCoeffs ( 3.59738 -0.00053694 5.16416e-07 1.0662e-09 -7.54343e-13 136513 2.86953 );
|
|
}
|
|
}
|
|
C2HBr3
|
|
{
|
|
specie
|
|
{
|
|
molWeight 264.733;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 11.3479 0.00429311 -1.58086e-06 2.59583e-10 -1.57283e-14 13362.5 -23.5492 );
|
|
lowCpCoeffs ( 3.77339 0.0325157 -4.40715e-05 3.06046e-08 -8.51828e-12 15103.5 13.8067 );
|
|
}
|
|
}
|
|
C10H22O_1-Decanol
|
|
{
|
|
specie
|
|
{
|
|
molWeight 158.286;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 23.807 0.0625375 -2.36268e-05 4.1896e-09 -2.82449e-13 -59708.7 -87.2261 );
|
|
lowCpCoeffs ( 2.54045 0.0974966 -5.93445e-06 -5.7736e-08 3.02583e-11 -52445.9 28.8794 );
|
|
}
|
|
}
|
|
C6H10O5_Cellulose
|
|
{
|
|
specie
|
|
{
|
|
molWeight 162.144;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 23.313 0.0343084 -1.27585e-05 2.10987e-09 -1.28472e-13 -126178 -112.639 );
|
|
lowCpCoeffs ( 4.16099 0.0314407 0.000135877 -2.14729e-07 9.00954e-11 -118972 -2.06716 );
|
|
}
|
|
}
|
|
C10H12O3_Coniferyl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 180.205;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 24.452 0.0417628 -1.49969e-05 2.42162e-09 -1.45027e-13 -55878.1 -99.8135 );
|
|
lowCpCoeffs ( 4.66639 0.0538319 7.40723e-05 -1.40041e-07 6.09649e-11 -48423.1 12.4669 );
|
|
}
|
|
}
|
|
H2F2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 40.0127;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.5096 0.00198484 -4.64227e-07 4.90229e-11 -1.8846e-15 -70500.9 -6.15476 );
|
|
lowCpCoeffs ( 3.35531 0.0221036 -4.3986e-05 4.00999e-08 -1.34955e-11 -70212.8 7.29947 );
|
|
}
|
|
}
|
|
C6H11_2M-2ENE-5YL
|
|
{
|
|
specie
|
|
{
|
|
molWeight 83.1546;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.9779 0.0306994 -1.15442e-05 2.03256e-09 -1.35963e-13 10444.2 -39.3199 );
|
|
lowCpCoeffs ( 5.00115 0.0189998 7.92703e-05 -1.17643e-07 4.82907e-11 14232.8 9.85919 );
|
|
}
|
|
}
|
|
C4H7O_2-Methyl-A
|
|
{
|
|
specie
|
|
{
|
|
molWeight 71.0998;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 10.2562 0.0200759 -7.17607e-06 1.15056e-09 -6.8481e-14 1877.61 -26.0317 );
|
|
lowCpCoeffs ( 3.43288 0.0232281 2.72682e-05 -5.29222e-08 2.3231e-11 4501.63 12.9269 );
|
|
}
|
|
}
|
|
C5H4N__m-Pyridyl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 78.0943;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 10.3713 0.0159575 -5.80322e-06 9.44994e-10 -5.69258e-14 43717.5 -31.3526 );
|
|
lowCpCoeffs ( 1.38066 0.0147207 6.04124e-05 -9.62108e-08 4.11106e-11 47310.1 20.9748 );
|
|
}
|
|
}
|
|
SiS2__Solid
|
|
{
|
|
specie
|
|
{
|
|
molWeight 92.214;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 1363;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.40271 0.00313408 -2.30382e-06 1.32114e-09 -2.8279e-13 -28264.9 -38.9938 );
|
|
lowCpCoeffs ( 8.91437 0.00135634 2.22768e-09 -3.02265e-12 1.41797e-15 -28382.2 -41.5331 );
|
|
}
|
|
}
|
|
SF+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 51.0619;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.30383 5.73697e-05 8.60226e-08 -1.94652e-11 1.28238e-15 118232 2.3334 );
|
|
lowCpCoeffs ( 2.68131 0.00559783 -7.36694e-06 4.67013e-09 -1.15329e-12 118627 10.4528 );
|
|
}
|
|
}
|
|
s-(HgN3)2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 485.22;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 15.8529 0.00580639 -2.16603e-06 3.58441e-10 -2.18258e-14 72931.4 -39.498 );
|
|
lowCpCoeffs ( 6.94648 0.0491876 -9.0648e-05 8.39864e-08 -2.96426e-11 74658.4 2.41449 );
|
|
}
|
|
}
|
|
CH3NO__CH2=NH=O
|
|
{
|
|
specie
|
|
{
|
|
molWeight 45.0412;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.02216 0.00950697 -3.29469e-06 5.1788e-10 -3.05289e-14 5576.07 -2.23026 );
|
|
lowCpCoeffs ( 3.68464 -0.0047861 5.33378e-05 -6.68448e-08 2.63302e-11 6751.15 8.84985 );
|
|
}
|
|
}
|
|
C22H14__Pentacen
|
|
{
|
|
specie
|
|
{
|
|
molWeight 278.357;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 39.7508 0.0604147 -2.20759e-05 3.60623e-09 -2.17714e-13 27270.8 -195.32 );
|
|
lowCpCoeffs ( -3.57114 0.113149 9.47362e-05 -2.28646e-07 1.05809e-10 42145.6 43.7068 );
|
|
}
|
|
}
|
|
O
|
|
{
|
|
specie
|
|
{
|
|
molWeight 15.9994;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.54364 -2.73162e-05 -4.1903e-09 4.95482e-12 -4.79554e-16 29226 4.92229 );
|
|
lowCpCoeffs ( 3.16827 -0.00327932 6.64306e-06 -6.12807e-09 2.11266e-12 29122.3 2.05193 );
|
|
}
|
|
}
|
|
C4H8,tr2-butene
|
|
{
|
|
specie
|
|
{
|
|
molWeight 56.1084;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 7.89115 0.0224971 -8.12144e-06 1.31274e-09 -7.84452e-14 -5516.43 -17.6436 );
|
|
lowCpCoeffs ( 5.57279 0.00376541 6.52227e-05 -8.3091e-08 3.20311e-11 -3601.28 0.537797 );
|
|
}
|
|
}
|
|
SOF2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 86.0602;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.22849 0.00181535 -7.11206e-07 1.21449e-10 -7.55467e-15 -73220.7 -14.6208 );
|
|
lowCpCoeffs ( 1.62146 0.0271687 -4.00273e-05 2.90217e-08 -8.33803e-12 -71744 17.7728 );
|
|
}
|
|
}
|
|
C14H9_9-Phenantr
|
|
{
|
|
specie
|
|
{
|
|
molWeight 177.228;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 26.9115 0.0374932 -1.44433e-05 2.56042e-09 -1.71398e-13 42075 -121.842 );
|
|
lowCpCoeffs ( -10.801 0.141471 -0.000114378 3.5904e-08 0 52739.9 73.4016 );
|
|
}
|
|
}
|
|
Ag_cr
|
|
{
|
|
specie
|
|
{
|
|
molWeight 107.87;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 1235.08;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.07217 0.00246394 -1.34351e-06 3.69321e-10 0 -637.725 -7.18811 );
|
|
lowCpCoeffs ( 2.25225 0.00543263 -1.32154e-05 1.50424e-08 -5.94992e-12 -823.132 -8.86835 );
|
|
}
|
|
}
|
|
C6H5Cl_chlorobenz
|
|
{
|
|
specie
|
|
{
|
|
molWeight 112.56;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 13.0901 0.0187767 -6.79334e-06 1.10243e-09 -6.62523e-14 188.363 -45.4546 );
|
|
lowCpCoeffs ( 0.977172 0.0300024 3.92996e-05 -8.07708e-08 3.66013e-11 4458.97 22.0708 );
|
|
}
|
|
}
|
|
C2H2O2__HOCCOH
|
|
{
|
|
specie
|
|
{
|
|
molWeight 58.037;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 7.72169 0.00636506 -2.16196e-06 3.35928e-10 -1.95762e-14 -6146.19 -7.16587 );
|
|
lowCpCoeffs ( 4.39325 0.0178016 -1.81564e-05 1.11665e-08 -2.9637e-12 -5323.32 9.51277 );
|
|
}
|
|
}
|
|
C2HClF2-1,1
|
|
{
|
|
specie
|
|
{
|
|
molWeight 98.4801;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 9.99824 0.00562139 -2.08907e-06 3.45076e-10 -2.09927e-14 -43955.6 -23.448 );
|
|
lowCpCoeffs ( 2.04804 0.0295909 -2.80654e-05 1.12979e-08 -1.01686e-12 -41870.5 17.0867 );
|
|
}
|
|
}
|
|
ClO2___ClOO*___H
|
|
{
|
|
specie
|
|
{
|
|
molWeight 67.4518;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.97558 0.00102758 -3.97455e-07 6.73153e-11 -4.16388e-15 10286 -1.30329 );
|
|
lowCpCoeffs ( 4.26695 0.00747999 -1.15233e-05 9.93421e-09 -3.48897e-12 10707.3 7.19227 );
|
|
}
|
|
}
|
|
SO2Cl2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 134.969;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 10.693 0.00235058 -9.17787e-07 1.56394e-10 -9.71453e-15 -46333.4 -25.0537 );
|
|
lowCpCoeffs ( 2.13446 0.0398929 -6.95137e-05 5.96239e-08 -1.98651e-11 -44576.6 15.9634 );
|
|
}
|
|
}
|
|
IR(L)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 192.2;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 2720;
|
|
Thigh 6000;
|
|
Tcommon 2720;
|
|
highCpCoeffs ( 5.21921 0.000701209 -2.25509e-07 3.2411e-11 -1.76996e-15 -1167.86 -28.4483 );
|
|
lowCpCoeffs 7 { 0 };
|
|
}
|
|
}
|
|
C18H36O2_Stearic
|
|
{
|
|
specie
|
|
{
|
|
molWeight 284.486;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 40.9675 0.10942 -3.94552e-05 6.38223e-09 -3.82511e-13 -112871 -185.278 );
|
|
lowCpCoeffs ( 20.6861 -0.00314376 0.000459955 -5.95858e-07 2.35293e-10 -99352.4 -40.4924 );
|
|
}
|
|
}
|
|
Mn2O3_(S)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 157.874;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 1400;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.13175 0.0294926 -2.97408e-05 1.57531e-08 -3.14028e-12 -117345 -17.1563 );
|
|
lowCpCoeffs ( 3.73626 0.0453604 -7.84796e-05 6.79682e-08 -2.20889e-11 -117901 -18.5906 );
|
|
}
|
|
}
|
|
C7_linear_singlet
|
|
{
|
|
specie
|
|
{
|
|
molWeight 84.0781;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.6083 0.00667144 -2.52622e-06 4.22094e-10 -2.58706e-14 154475 -37.1489 );
|
|
lowCpCoeffs ( 3.38697 0.0456109 -7.47844e-05 6.56306e-08 -2.26942e-11 156545 7.67058 );
|
|
}
|
|
}
|
|
C5H
|
|
{
|
|
specie
|
|
{
|
|
molWeight 61.0637;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 9.92848 0.00592401 -2.14778e-06 3.48973e-10 -2.0988e-14 99883.6 -25.2106 );
|
|
lowCpCoeffs ( 1.01045 0.0479812 -8.36082e-05 7.34961e-08 -2.48468e-11 101605 16.8901 );
|
|
}
|
|
}
|
|
C6H5O__2,4-cyclo
|
|
{
|
|
specie
|
|
{
|
|
molWeight 93.1061;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.903 0.019077 -6.93077e-06 1.12768e-09 -6.78872e-14 23655.6 -41.9987 );
|
|
lowCpCoeffs ( 1.4212 0.0309989 3.06366e-05 -6.78384e-08 3.08907e-11 27703.9 21.8584 );
|
|
}
|
|
}
|
|
C24H12__Coronene
|
|
{
|
|
specie
|
|
{
|
|
molWeight 300.363;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 36.6363 0.0640569 -2.35899e-05 3.87303e-09 -2.34622e-13 18358.2 -183.104 );
|
|
lowCpCoeffs ( -3.43656 0.104563 9.86369e-05 -2.14124e-07 9.51018e-11 32867.4 40.9211 );
|
|
}
|
|
}
|
|
C4H5_2-Butayn-1yl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 53.0845;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 7.62619 0.0147322 -5.22512e-06 8.36085e-10 -4.97358e-14 33381.6 -12.6664 );
|
|
lowCpCoeffs ( 4.41576 0.0136824 1.76533e-05 -3.06168e-08 1.2785e-11 34787.1 6.3967 );
|
|
}
|
|
}
|
|
GeBr3
|
|
{
|
|
specie
|
|
{
|
|
molWeight 312.293;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 9.76493 0.000249388 -9.97239e-08 1.72573e-11 -1.08332e-15 -17288.9 -12.1585 );
|
|
lowCpCoeffs ( 5.95663 0.0223501 -4.89009e-05 4.74894e-08 -1.69645e-11 -16739.3 4.86496 );
|
|
}
|
|
}
|
|
C2H2O+_Ethynol+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 42.0371;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.22419 0.00563173 -1.93175e-06 3.02068e-10 -1.7678e-14 126059 -2.38694 );
|
|
lowCpCoeffs ( 2.09975 0.022928 -3.1124e-05 2.32034e-08 -6.89865e-12 126917 17.49 );
|
|
}
|
|
}
|
|
ZrO2(I)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 123.219;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 2620;
|
|
Thigh 2983;
|
|
Tcommon 2620;
|
|
highCpCoeffs ( 9.62173 0 0 0 0 -133847 -49.4343 );
|
|
lowCpCoeffs 7 { 0 };
|
|
}
|
|
}
|
|
PbF4
|
|
{
|
|
specie
|
|
{
|
|
molWeight 283.184;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.114 0.000930014 -3.69586e-07 6.36944e-11 -3.98702e-15 -100086 -29.9294 );
|
|
lowCpCoeffs ( 3.78353 0.0420273 -8.0635e-05 7.15286e-08 -2.39702e-11 -98622 8.82113 );
|
|
}
|
|
}
|
|
ZnCl2(G)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 136.276;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 7.61145 -0.000315965 2.06215e-07 -5.29364e-11 4.50903e-15 -34321.1 -10.272 );
|
|
lowCpCoeffs ( 3.85545 0.0183777 -3.71779e-05 3.42343e-08 -1.18363e-11 -33654.2 7.20305 );
|
|
}
|
|
}
|
|
C4H5_E-1,3-en-1-yl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 53.0845;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.11184 0.0142276 -5.0242e-06 8.00817e-10 -4.7546e-14 40013.5 -15.2705 );
|
|
lowCpCoeffs ( 3.28606 0.0143352 2.78457e-05 -4.84613e-08 2.10628e-11 41922.3 12.6654 );
|
|
}
|
|
}
|
|
CH3N2O3_H2COHN*NO2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 91.0467;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 11.3244 0.011443 -4.20916e-06 6.87755e-10 -4.14592e-14 217.51 -28.3866 );
|
|
lowCpCoeffs ( 3.53461 0.0240086 5.84816e-06 -2.79984e-08 1.38116e-11 2772.99 13.9279 );
|
|
}
|
|
}
|
|
P(cr)Red
|
|
{
|
|
specie
|
|
{
|
|
molWeight 30.9738;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 700;
|
|
Tcommon 1000;
|
|
highCpCoeffs 7 { 0 };
|
|
lowCpCoeffs ( -1.76623 0.0353678 -0.000109883 1.59207e-07 -8.63244e-11 -2448.4 5.91489 );
|
|
}
|
|
}
|
|
CH5N2___CH3N*NH2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 45.0644;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.77444 0.0120667 -4.19822e-06 6.63042e-10 -3.90817e-14 22404.6 -9.92485 );
|
|
lowCpCoeffs ( 3.34217 0.0109605 2.39705e-05 -4.06075e-08 1.76013e-11 23790 10.1531 );
|
|
}
|
|
}
|
|
C2H4+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 28.0536;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.57248 0.0103704 -3.56045e-06 5.56561e-10 -3.25462e-14 127596 6.1025 );
|
|
lowCpCoeffs ( 3.07281 0.00882261 4.18612e-06 -8.85701e-09 3.68195e-12 127898 9.43785 );
|
|
}
|
|
}
|
|
N2D2,cis
|
|
{
|
|
specie
|
|
{
|
|
molWeight 32.0416;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.51455 0.00518901 -1.93684e-06 3.20576e-10 -1.95208e-14 22511.8 -0.952668 );
|
|
lowCpCoeffs ( 3.87336 -0.00262329 2.63076e-05 -3.13009e-08 1.1811e-11 23183.6 4.74949 );
|
|
}
|
|
}
|
|
C3HBr2*__Radical
|
|
{
|
|
specie
|
|
{
|
|
molWeight 196.843;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 10.5206 0.00497123 -1.81045e-06 2.95094e-10 -1.7788e-14 46815.1 -20.1458 );
|
|
lowCpCoeffs ( 2.71124 0.0386578 -6.23209e-05 5.18402e-08 -1.69296e-11 48447.5 17.4145 );
|
|
}
|
|
}
|
|
CHN2_cyc(-CH-N=N-)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 41.0325;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.38923 0.00420925 -1.53878e-06 2.51414e-10 -1.51792e-14 64768.1 -3.56249 );
|
|
lowCpCoeffs ( 3.41465 0.000879197 2.34732e-05 -3.32569e-08 1.37858e-11 65687.3 8.62069 );
|
|
}
|
|
}
|
|
C2H3Br_Bromoethy
|
|
{
|
|
specie
|
|
{
|
|
molWeight 106.947;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.26545 0.00840448 -2.96023e-06 4.71565e-10 -2.79679e-14 6279.17 -5.8908 );
|
|
lowCpCoeffs ( 2.44082 0.0133417 7.36029e-06 -2.10891e-08 1.00996e-11 7559.68 15.0863 );
|
|
}
|
|
}
|
|
C4H4O4_Fumaric_aci
|
|
{
|
|
specie
|
|
{
|
|
molWeight 116.074;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 16.3596 0.017407 -7.23104e-06 1.26982e-09 -8.01884e-14 -90946.5 -56.3402 );
|
|
lowCpCoeffs ( 0.088298 0.0596583 -4.66649e-05 1.5559e-08 -9.15535e-13 -86061.4 28.9697 );
|
|
}
|
|
}
|
|
C5H9_2-en-1-yl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 69.1275;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 11.1278 0.0238252 -8.44023e-06 1.34549e-09 -7.97578e-14 8687.11 -30.7833 );
|
|
lowCpCoeffs ( 2.34425 0.0321504 2.45296e-05 -5.81111e-08 2.68653e-11 11793.2 18.1636 );
|
|
}
|
|
}
|
|
NH-_anion
|
|
{
|
|
specie
|
|
{
|
|
molWeight 15.0152;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.80076 0.001391 -4.56947e-07 6.97878e-11 -4.00657e-15 37273.5 4.5454 );
|
|
lowCpCoeffs ( 3.49741 0.000226584 -1.31303e-06 2.54336e-09 -1.15373e-12 37056 0.788479 );
|
|
}
|
|
}
|
|
C2S2__S=C=C=S
|
|
{
|
|
specie
|
|
{
|
|
molWeight 88.1503;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 7.5584 0.00357347 -1.4444e-06 2.47666e-10 -1.53534e-14 42690.5 -11.5836 );
|
|
lowCpCoeffs ( 2.93494 0.0252356 -4.4537e-05 4.04728e-08 -1.41865e-11 43625 10.3727 );
|
|
}
|
|
}
|
|
H3F3
|
|
{
|
|
specie
|
|
{
|
|
molWeight 60.0191;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.73905 0.00599754 -2.04567e-06 3.18405e-10 -1.85656e-14 -109353 -18.2334 );
|
|
lowCpCoeffs ( 1.54424 0.0385768 -5.91955e-05 4.56359e-08 -1.35707e-11 -108017 15.7445 );
|
|
}
|
|
}
|
|
GeBr2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 232.392;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.88517 0.000121917 -4.87715e-08 8.44225e-12 -5.30055e-16 -9414.26 -0.93876 );
|
|
lowCpCoeffs ( 4.95507 0.0114288 -2.51749e-05 2.45542e-08 -8.7969e-12 -9139.39 7.66723 );
|
|
}
|
|
}
|
|
BOF2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 64.8072;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 7.36113 0.00266897 -1.03736e-06 1.76234e-10 -1.09237e-14 -102874 -11.3799 );
|
|
lowCpCoeffs ( 2.08916 0.0173874 -1.46826e-05 3.77224e-09 5.91939e-13 -101432 15.7924 );
|
|
}
|
|
}
|
|
BO2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 42.8098;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.92333 0.00164505 -6.57855e-07 1.17665e-10 -7.40779e-15 -39255.3 -7.09217 );
|
|
lowCpCoeffs ( 3.35854 0.00675421 -3.57034e-07 -6.07637e-09 3.34145e-12 -38466.6 6.59271 );
|
|
}
|
|
}
|
|
C5H8O2_MeCrotanoat
|
|
{
|
|
specie
|
|
{
|
|
molWeight 100.118;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.91 0.0248664 -8.93563e-06 1.43906e-09 -8.59167e-14 -47614.3 -37.1057 );
|
|
lowCpCoeffs ( 5.79381 0.0245644 3.60443e-05 -6.23879e-08 2.61793e-11 -44636.7 4.57237 );
|
|
}
|
|
}
|
|
PFCl4
|
|
{
|
|
specie
|
|
{
|
|
molWeight 191.784;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 14.7329 0.00132997 -5.28503e-07 9.10808e-11 -5.70127e-15 -81134 -42.0205 );
|
|
lowCpCoeffs ( 2.18132 0.0653837 -0.000129427 1.17663e-07 -4.01817e-11 -79001 15.9316 );
|
|
}
|
|
}
|
|
C11_linear_Single
|
|
{
|
|
specie
|
|
{
|
|
molWeight 132.123;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 18.7253 0.0123291 -4.66007e-06 7.77714e-10 -4.76289e-14 208430 -65.0384 );
|
|
lowCpCoeffs ( 4.06492 0.0656231 -8.94846e-05 6.89622e-08 -2.20412e-11 212071 8.12045 );
|
|
}
|
|
}
|
|
T2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 95.8;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.82044 0.00159055 -5.64602e-07 9.75833e-11 -6.18749e-15 -868.446 2.01899 );
|
|
lowCpCoeffs ( 3.64109 -0.000865662 1.42827e-06 2.19964e-10 -4.85881e-13 -1059.94 -2.11096 );
|
|
}
|
|
}
|
|
HCHO_Formaldehy
|
|
{
|
|
specie
|
|
{
|
|
molWeight 30.0265;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.16953 0.00619321 -2.25056e-06 3.65976e-10 -2.20149e-14 -14548.7 6.04208 );
|
|
lowCpCoeffs ( 4.79372 -0.00990833 3.7322e-05 -3.79285e-08 1.31773e-11 -14379.2 0.602798 );
|
|
}
|
|
}
|
|
CH4N4O2_nitrogua
|
|
{
|
|
specie
|
|
{
|
|
molWeight 104.069;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 15.836 0.0126172 -4.76894e-06 7.91212e-10 -4.81568e-14 4150.21 -53.8101 );
|
|
lowCpCoeffs ( 1.28862 0.0428325 -7.12055e-06 -2.97723e-08 1.71991e-11 8565.3 23.5165 );
|
|
}
|
|
}
|
|
BrO_Bromoxyl_rad
|
|
{
|
|
specie
|
|
{
|
|
molWeight 95.9003;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.13723 -0.000516464 2.06072e-07 -3.26108e-11 1.97331e-15 13208.9 -1.47002 );
|
|
lowCpCoeffs ( 2.48296 0.00685677 -3.78834e-06 -4.21358e-09 3.45838e-12 13862 12.0185 );
|
|
}
|
|
}
|
|
MgTi2O5(L)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 200.109;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 1963;
|
|
Thigh 6000;
|
|
Tcommon 1963;
|
|
highCpCoeffs ( 31.4007 0 0 0 0 -301942 -168.604 );
|
|
lowCpCoeffs 7 { 0 };
|
|
}
|
|
}
|
|
Hg(CNO)2_Fulminat
|
|
{
|
|
specie
|
|
{
|
|
molWeight 284.625;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.8479 0.0057982 -2.16002e-06 3.57133e-10 -2.17333e-14 43315.9 -33.065 );
|
|
lowCpCoeffs ( 2.90402 0.0571107 -0.000110741 1.05062e-07 -3.75149e-11 45119.4 13.0742 );
|
|
}
|
|
}
|
|
ZrC(L)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 103.231;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 3805;
|
|
Thigh 6000;
|
|
Tcommon 3805;
|
|
highCpCoeffs ( 7.54825 0 0 0 0 -18848.7 -39.5342 );
|
|
lowCpCoeffs 7 { 0 };
|
|
}
|
|
}
|
|
S7
|
|
{
|
|
specie
|
|
{
|
|
molWeight 224.448;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 17.8534 0.00121114 -4.83082e-07 8.34577e-11 -5.23295e-15 7807.77 -54.0619 );
|
|
lowCpCoeffs ( 2.91733 0.082965 -0.000173743 1.63959e-07 -5.74388e-11 10138 13.7222 );
|
|
}
|
|
}
|
|
N2O-_O(NN)-_cycl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 44.0133;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.5914 0.0014268 -5.5508e-07 9.43597e-11 -5.8514e-15 9341.26 -3.36643 );
|
|
lowCpCoeffs ( 2.64781 0.0102375 -1.03597e-05 4.81418e-09 -7.88189e-13 10124.2 11.681 );
|
|
}
|
|
}
|
|
C8H7___n-styryl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 103.145;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 16.0669 0.0235523 -8.47353e-06 1.36928e-09 -8.2083e-14 39811 -60.1469 );
|
|
lowCpCoeffs ( 0.278679 0.0412518 4.27418e-05 -9.66213e-08 4.47819e-11 45202.5 27.0544 );
|
|
}
|
|
}
|
|
ZrO
|
|
{
|
|
specie
|
|
{
|
|
molWeight 107.219;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 7.28948 -0.00289026 1.1582e-06 -1.81846e-10 1.04593e-14 7685.99 -14.1739 );
|
|
lowCpCoeffs ( 4.12155 -0.0131755 6.92644e-05 -9.58477e-08 4.10233e-11 9008.39 5.57698 );
|
|
}
|
|
}
|
|
C2H2O2_Oxyranone
|
|
{
|
|
specie
|
|
{
|
|
molWeight 58.037;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.91337 0.00818722 -2.96774e-06 4.82154e-10 -2.89963e-14 -24382.7 -11.2907 );
|
|
lowCpCoeffs ( 2.28415 0.0108507 2.00545e-05 -3.70111e-08 1.64078e-11 -22673.4 14.9009 );
|
|
}
|
|
}
|
|
C2H4O_OXYRANE
|
|
{
|
|
specie
|
|
{
|
|
molWeight 44.0536;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.48876 0.0120462 -4.33369e-06 7.00283e-10 -4.19491e-14 -9180.43 -7.07996 );
|
|
lowCpCoeffs ( 3.75905 -0.00944122 8.03097e-05 -1.00808e-07 4.00399e-11 -7560.81 7.84975 );
|
|
}
|
|
}
|
|
s-(CH3)2-N-NH2_U
|
|
{
|
|
specie
|
|
{
|
|
molWeight 60.0995;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 10.0992 0.0196942 -7.01998e-06 1.12732e-09 -6.72363e-14 6390.11 -28.6819 );
|
|
lowCpCoeffs ( 3.29841 0.0174056 4.64343e-05 -7.52764e-08 3.19716e-11 9210.25 11.3158 );
|
|
}
|
|
}
|
|
NH4NO3(II)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 80.0435;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 357.25;
|
|
Thigh 399;
|
|
Tcommon 399;
|
|
highCpCoeffs 7 { 0 };
|
|
lowCpCoeffs ( 60.2321 -0.176799 0 4.52883e-07 0 -54786.3 -275.781 );
|
|
}
|
|
}
|
|
C3H7NO3_amino_acid
|
|
{
|
|
specie
|
|
{
|
|
molWeight 105.094;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 14.5755 0.0210851 -7.85644e-06 1.29384e-09 -7.83961e-14 -76255 -43.5176 );
|
|
lowCpCoeffs ( 4.34638 0.0276673 3.60049e-05 -6.91663e-08 3.01674e-11 -72371.5 14.5554 );
|
|
}
|
|
}
|
|
C21H44_n-Heneico
|
|
{
|
|
specie
|
|
{
|
|
molWeight 296.585;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.62012 0.209745 -0.000100846 2.12047e-08 -1.61352e-12 -64109.5 48.6149 );
|
|
lowCpCoeffs ( 31.5435 -0.0399927 0.000659372 -8.68225e-07 3.48412e-10 -69217.7 -72.5816 );
|
|
}
|
|
}
|
|
PF
|
|
{
|
|
specie
|
|
{
|
|
molWeight 49.9722;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.25061 0.000125593 7.08161e-08 -1.66993e-11 1.05783e-15 -7133.87 2.5823 );
|
|
lowCpCoeffs ( 3.08892 0.00247163 7.72009e-07 -4.11409e-09 2.2129e-12 -6796.95 8.72311 );
|
|
}
|
|
}
|
|
BrCN+___ATcT_C
|
|
{
|
|
specie
|
|
{
|
|
molWeight 105.918;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.76044 0.00168132 -6.36115e-07 1.06233e-10 -6.50922e-15 158063 -3.23778 );
|
|
lowCpCoeffs ( 3.08376 0.0130293 -2.08523e-05 1.72219e-08 -5.57728e-12 158640 9.69962 );
|
|
}
|
|
}
|
|
CH2+_cation
|
|
{
|
|
specie
|
|
{
|
|
molWeight 14.0265;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.13583 0.00301498 -9.81603e-07 1.47279e-10 -8.34385e-15 167369 4.49067 );
|
|
lowCpCoeffs ( 3.23157 0.00499864 -7.43125e-06 6.75316e-09 -2.24398e-12 167227 3.42744 );
|
|
}
|
|
}
|
|
C5H7O_Cy_C5H7-O*
|
|
{
|
|
specie
|
|
{
|
|
molWeight 83.1109;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 11.8245 0.0225157 -8.11966e-06 1.31442e-09 -7.88443e-14 5475.09 -38.9406 );
|
|
lowCpCoeffs ( 2.16396 0.0145388 8.65448e-05 -1.3135e-07 5.55585e-11 9607.9 18.749 );
|
|
}
|
|
}
|
|
C6H7N_Aniline
|
|
{
|
|
specie
|
|
{
|
|
molWeight 93.1294;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 14.026 0.0224206 -8.00979e-06 1.28918e-09 -7.7042e-14 3759.98 -52.4396 );
|
|
lowCpCoeffs ( -0.473668 0.039958 3.3649e-05 -8.14187e-08 3.79343e-11 8679.36 27.4201 );
|
|
}
|
|
}
|
|
I2(cr)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 253.809;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 386.75;
|
|
Tcommon 200;
|
|
highCpCoeffs 7 { 0 };
|
|
lowCpCoeffs ( -10.5758 0.226906 -0.00112462 2.41678e-06 -1.84901e-09 -899.722 38.8599 );
|
|
}
|
|
}
|
|
S8
|
|
{
|
|
specie
|
|
{
|
|
molWeight 256.512;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 20.4308 0.00518093 -2.91895e-06 5.97575e-10 -4.13758e-14 5118.43 -67.4373 );
|
|
lowCpCoeffs ( 4.13158 0.0943299 -0.000205776 2.05748e-07 -7.51844e-11 8203.19 7.83537 );
|
|
}
|
|
}
|
|
N2H4(L)_Hydrazin
|
|
{
|
|
specie
|
|
{
|
|
molWeight 32.0453;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 800;
|
|
Tcommon 800;
|
|
highCpCoeffs 7 { 0 };
|
|
lowCpCoeffs ( 12.031 -0.0158855 7.53502e-05 -9.15945e-08 4.07675e-11 2674.29 -51.8138 );
|
|
}
|
|
}
|
|
C6H8
|
|
{
|
|
specie
|
|
{
|
|
molWeight 80.1307;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 13.1846 0.0240238 -8.6729e-06 1.40497e-09 -8.43158e-14 11858.7 -45.6299 );
|
|
lowCpCoeffs ( 3.85878 0.0158858 8.1121e-05 -1.21842e-07 5.08326e-11 15950.5 10.3846 );
|
|
}
|
|
}
|
|
C6H14_2-MePentan
|
|
{
|
|
specie
|
|
{
|
|
molWeight 86.1785;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 13.2461 0.0380067 -1.36577e-05 2.19973e-09 -1.31326e-13 -27622.7 -41.8372 );
|
|
lowCpCoeffs ( 6.71148 0.0224793 7.64012e-05 -1.10166e-07 4.42376e-11 -24126.3 0.163541 );
|
|
}
|
|
}
|
|
Ne+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 20.1825;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.8966 -0.000351985 1.26031e-07 -2.02696e-11 1.20889e-15 250144 2.60525 );
|
|
lowCpCoeffs ( 1.9415 0.00440494 -8.59235e-06 7.02349e-09 -2.126e-12 250291 6.98897 );
|
|
}
|
|
}
|
|
D2O2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 36.027;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.14099 0.00424771 -1.51625e-06 2.48829e-10 -1.50545e-14 -19264.9 -1.82579 );
|
|
lowCpCoeffs ( 3.99336 0.00303683 1.02968e-05 -1.60577e-08 6.83692e-12 -18743.3 5.12865 );
|
|
}
|
|
}
|
|
CHCl=CH*
|
|
{
|
|
specie
|
|
{
|
|
molWeight 61.4912;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.57993 0.00550498 -1.93057e-06 3.06673e-10 -1.81537e-14 30552.4 -7.26736 );
|
|
lowCpCoeffs ( 1.75765 0.0207031 -1.84482e-05 6.31043e-09 1.19855e-13 31753 17.0687 );
|
|
}
|
|
}
|
|
C3O2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 68.0323;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.46177 0.00481552 -1.8093e-06 3.00787e-10 -1.83722e-14 -14561.7 -17.0606 );
|
|
lowCpCoeffs ( 2.19669 0.0314553 -5.07457e-05 4.35793e-08 -1.47351e-11 -13180.6 13.2985 );
|
|
}
|
|
}
|
|
C3H3NS_Thiazole
|
|
{
|
|
specie
|
|
{
|
|
molWeight 85.1281;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 9.61586 0.0110867 -4.00459e-06 6.4928e-10 -3.89984e-14 13951.3 -26.1939 );
|
|
lowCpCoeffs ( 0.283752 0.0240769 1.93079e-05 -5.07995e-08 2.44392e-11 16984 24.6536 );
|
|
}
|
|
}
|
|
Zn+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 65.3695;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.53064 -7.04007e-05 5.61823e-08 -1.86086e-11 2.18686e-15 124688 5.64831 );
|
|
lowCpCoeffs ( 2.5 4.33387e-14 -1.14192e-16 1.25124e-19 -4.86312e-23 124698 5.812 );
|
|
}
|
|
}
|
|
C3H3I_CH2=C=CHI
|
|
{
|
|
specie
|
|
{
|
|
molWeight 165.962;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.61889 0.00923264 -3.3162e-06 5.35303e-10 -3.20432e-14 28278.2 -16.165 );
|
|
lowCpCoeffs ( 1.56193 0.0290621 -2.07764e-05 2.89078e-09 2.30017e-12 30185.2 20.1152 );
|
|
}
|
|
}
|
|
CH2N__H2C=N*
|
|
{
|
|
specie
|
|
{
|
|
molWeight 28.0338;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.80316 0.00547197 -1.95315e-06 3.13362e-10 -1.86249e-14 27130.3 3.31759 );
|
|
lowCpCoeffs ( 3.978 -0.00343276 2.59134e-05 -3.04692e-08 1.16273e-11 27485.4 4.43067 );
|
|
}
|
|
}
|
|
C4H4__1-butene-3
|
|
{
|
|
specie
|
|
{
|
|
molWeight 52.0765;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 7.98456 0.0120559 -4.23587e-06 6.73646e-10 -3.9906e-14 31199.3 -16.7959 );
|
|
lowCpCoeffs ( 1.37369 0.0288801 -1.46864e-05 -3.91045e-09 4.78134e-12 33063.3 17.5941 );
|
|
}
|
|
}
|
|
HClO2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 68.4598;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.44418 0.00247114 -8.33395e-07 1.28935e-10 -7.49337e-15 310.224 -3.9672 );
|
|
lowCpCoeffs ( 3.19984 0.0128377 -1.18008e-05 3.51854e-09 4.48011e-13 1088.55 12.3172 );
|
|
}
|
|
}
|
|
C4H8O_T.H.Furan
|
|
{
|
|
specie
|
|
{
|
|
molWeight 72.1078;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.52314 0.0253937 -9.13771e-06 1.47689e-09 -8.84863e-14 -26991.1 -22.6085 );
|
|
lowCpCoeffs ( 4.92991 -0.0144757 0.000147355 -1.83988e-07 7.23457e-11 -23748.2 7.54847 );
|
|
}
|
|
}
|
|
HNOH-
|
|
{
|
|
specie
|
|
{
|
|
molWeight 32.0226;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.9352 0.00411084 -1.38553e-06 2.1389e-10 -1.23989e-14 7764.29 -1.35347 );
|
|
lowCpCoeffs ( 2.61146 0.0129378 -1.44262e-05 8.95979e-09 -2.22087e-12 8276.65 10.0285 );
|
|
}
|
|
}
|
|
C8H8_Benzocybutan
|
|
{
|
|
specie
|
|
{
|
|
molWeight 104.153;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 14.3682 0.0284097 -1.02759e-05 1.66703e-09 -1.00149e-13 16669.6 -56.2032 );
|
|
lowCpCoeffs ( 1.15461 0.0223956 0.000100478 -1.5601e-07 6.60508e-11 22161.4 21.7313 );
|
|
}
|
|
}
|
|
C2H5+__Ethyl_cat
|
|
{
|
|
specie
|
|
{
|
|
molWeight 29.0616;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.51217 0.0121494 -4.29521e-06 6.85862e-10 -4.07425e-14 107008 -1.6583 );
|
|
lowCpCoeffs ( 2.18581 0.00868221 1.98614e-05 -2.90897e-08 1.13718e-11 108177 12.8726 );
|
|
}
|
|
}
|
|
O+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 15.9989;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.48542 2.56979e-05 -1.28833e-08 1.65525e-12 1.09933e-16 187941 4.47425 );
|
|
lowCpCoeffs ( 2.5 0 0 0 0 187935 4.39338 );
|
|
}
|
|
}
|
|
C12H5Cl4O3_Rad
|
|
{
|
|
specie
|
|
{
|
|
molWeight 338.984;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 37.8627 0.0295128 -1.09455e-05 1.80599e-09 -1.09796e-13 -67398.7 -164.423 );
|
|
lowCpCoeffs ( 1.68663 0.13075 -0.000108062 3.28511e-08 9.00638e-13 -57432.4 22.193 );
|
|
}
|
|
}
|
|
C2D4_Ethylene-D4
|
|
{
|
|
specie
|
|
{
|
|
molWeight 32.0787;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.41359 0.00909778 -3.40282e-06 5.63991e-10 -3.43761e-14 732.434 -12.7578 );
|
|
lowCpCoeffs ( 1.72375 0.0144307 7.87514e-06 -2.08718e-08 9.48034e-12 2452.48 13.4331 );
|
|
}
|
|
}
|
|
C6H14_3-MethylPe
|
|
{
|
|
specie
|
|
{
|
|
molWeight 86.1785;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.2723 0.0379717 -1.36423e-05 2.19692e-09 -1.31144e-13 -27117 -36.2408 );
|
|
lowCpCoeffs ( 6.75964 0.0167429 8.85667e-05 -1.21652e-07 4.82503e-11 -23773.6 1.1514 );
|
|
}
|
|
}
|
|
C2H5O_CH3CH*OH
|
|
{
|
|
specie
|
|
{
|
|
molWeight 45.0616;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.35842 0.0124356 -4.33097e-06 6.8453e-10 -4.03713e-14 -9530.19 -6.05106 );
|
|
lowCpCoeffs ( 4.22283 0.00512175 3.48387e-05 -4.91944e-08 2.01184e-11 -8356.22 8.01676 );
|
|
}
|
|
}
|
|
C3H3Cl_3CyClPropen
|
|
{
|
|
specie
|
|
{
|
|
molWeight 74.5104;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.38835 0.00927817 -3.29813e-06 5.28887e-10 -3.15204e-14 25371.9 -18.8157 );
|
|
lowCpCoeffs ( 1.78933 0.019769 9.10746e-06 -3.15448e-08 1.57448e-11 27453.5 16.8223 );
|
|
}
|
|
}
|
|
C12H5OCl3O3
|
|
{
|
|
specie
|
|
{
|
|
molWeight 303.531;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 33.937 0.0303479 -1.12471e-05 1.85475e-09 -1.12715e-13 -56130.3 -147.573 );
|
|
lowCpCoeffs ( 1.31429 0.116708 -8.54168e-05 1.7533e-08 4.64183e-12 -46834.6 22.0874 );
|
|
}
|
|
}
|
|
BH
|
|
{
|
|
specie
|
|
{
|
|
molWeight 11.819;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.36481 -0.00124938 1.06376e-06 -1.99746e-10 1.09267e-14 52526.4 -4.27228 );
|
|
lowCpCoeffs ( 3.54452 -0.000231822 -1.32913e-07 2.13394e-09 -1.32335e-12 52920.3 0.530536 );
|
|
}
|
|
}
|
|
B2Cl4
|
|
{
|
|
specie
|
|
{
|
|
molWeight 163.434;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 13.8516 0.00136077 -5.7086e-07 1.01286e-10 -6.45256e-15 -63545 -35.6634 );
|
|
lowCpCoeffs ( 4.5151 0.0389847 -6.1712e-05 4.69444e-08 -1.3996e-11 -61553 9.66032 );
|
|
}
|
|
}
|
|
C6H6_2,4-Hexadiyn
|
|
{
|
|
specie
|
|
{
|
|
molWeight 78.1147;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 10.2547 0.0206082 -7.38382e-06 1.18968e-09 -7.1114e-14 39635 -25.7728 );
|
|
lowCpCoeffs ( 5.34555 0.019672 2.42748e-05 -4.20608e-08 1.73661e-11 41784.6 3.3028 );
|
|
}
|
|
}
|
|
C3H3N__CH2=CHCN
|
|
{
|
|
specie
|
|
{
|
|
molWeight 53.0641;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.52097 0.0105029 -3.73734e-06 5.99498e-10 -3.57284e-14 19252.5 -9.59581 );
|
|
lowCpCoeffs ( 3.04397 0.0105333 1.96575e-05 -3.42001e-08 1.48156e-11 20645.7 10.5816 );
|
|
}
|
|
}
|
|
C6H12O_Cy-hexanol
|
|
{
|
|
specie
|
|
{
|
|
molWeight 100.162;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 13.3839 0.0364056 -1.30423e-05 2.10192e-09 -1.25689e-13 -42769.1 -51.0998 );
|
|
lowCpCoeffs ( 2.34802 0.0192215 0.000116647 -1.68729e-07 6.92365e-11 -37535.5 17.0759 );
|
|
}
|
|
}
|
|
MgSO4(L)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 120.374;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 1410;
|
|
Thigh 6000;
|
|
Tcommon 1410;
|
|
highCpCoeffs ( 18.6421 0 0 0 0 -160535 -98.1549 );
|
|
lowCpCoeffs 7 { 0 };
|
|
}
|
|
}
|
|
C10H9_fenylbutadie
|
|
{
|
|
specie
|
|
{
|
|
molWeight 129.183;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 19.7227 0.0305122 -1.10537e-05 1.79051e-09 -1.07388e-13 44228.1 -75.3737 );
|
|
lowCpCoeffs ( 2.29508 0.0452323 5.98076e-05 -1.21133e-07 5.46626e-11 50452.2 22.1436 );
|
|
}
|
|
}
|
|
Zr
|
|
{
|
|
specie
|
|
{
|
|
molWeight 91.22;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.49879 0.000691181 -1.34916e-07 2.71133e-11 -2.15533e-15 71525.3 7.82851 );
|
|
lowCpCoeffs ( 1.23878 0.01282 -2.72184e-05 2.33519e-08 -7.11225e-12 71339.6 11.9479 );
|
|
}
|
|
}
|
|
C3HCl2*1,1-Radical
|
|
{
|
|
specie
|
|
{
|
|
molWeight 107.947;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 10.9739 0.0044471 -1.59511e-06 2.57497e-10 -1.54222e-14 33688.7 -24.969 );
|
|
lowCpCoeffs ( 2.00434 0.0456328 -7.85723e-05 6.71701e-08 -2.21669e-11 35426.7 17.5273 );
|
|
}
|
|
}
|
|
PbI2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 460.999;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.95172 5.13521e-05 -2.05635e-08 3.56191e-12 -2.23741e-16 -3317.1 2.76238 );
|
|
lowCpCoeffs ( 6.05113 0.00547268 -1.22876e-05 1.21318e-08 -4.38218e-12 -3193.83 6.74835 );
|
|
}
|
|
}
|
|
NCN-
|
|
{
|
|
specie
|
|
{
|
|
molWeight 40.0251;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.25118 0.0022384 -8.61865e-07 1.4555e-10 -8.98572e-15 22084.1 -4.69833 );
|
|
lowCpCoeffs ( 2.55466 0.00898219 -6.37828e-06 1.43715e-09 1.68559e-13 22889.1 9.46802 );
|
|
}
|
|
}
|
|
C14H9_1-Antryl_R
|
|
{
|
|
specie
|
|
{
|
|
molWeight 177.228;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 26.9083 0.0375729 -1.44954e-05 2.57144e-09 -1.7219e-13 44970.8 -121.947 );
|
|
lowCpCoeffs ( -10.8507 0.142051 -0.000115372 3.64059e-08 0 55623.2 73.4163 );
|
|
}
|
|
}
|
|
P(L)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 30.9738;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 317.3;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.1415 0 0 0 0 -862.149 -12.7227 );
|
|
lowCpCoeffs ( 3.1415 0 0 0 0 -862.149 -12.7227 );
|
|
}
|
|
}
|
|
CH3OO+__cation
|
|
{
|
|
specie
|
|
{
|
|
molWeight 47.0333;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.73344 0.00905952 -3.23726e-06 5.2074e-10 -3.10951e-14 118813 -4.93294 );
|
|
lowCpCoeffs ( 3.00658 0.0102234 8.70246e-06 -1.68172e-08 6.93012e-12 119920 10.8089 );
|
|
}
|
|
}
|
|
C18H12_Triphenyle
|
|
{
|
|
specie
|
|
{
|
|
molWeight 228.296;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 32.3693 0.0505002 -1.84005e-05 3.00026e-09 -1.80901e-13 17644.7 -154.286 );
|
|
lowCpCoeffs ( -1.97978 0.0849435 9.9644e-05 -2.10796e-07 9.54762e-11 29741.5 36.8747 );
|
|
}
|
|
}
|
|
C5H9OH__Cyclopen
|
|
{
|
|
specie
|
|
{
|
|
molWeight 86.1349;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 11.732 0.0297302 -1.06122e-05 1.70615e-09 -1.01854e-13 -35278.8 -38.794 );
|
|
lowCpCoeffs ( 3.55489 0.00675502 0.000122047 -1.6873e-07 6.88277e-11 -31010.5 13.9171 );
|
|
}
|
|
}
|
|
CH3NH2+_cation
|
|
{
|
|
specie
|
|
{
|
|
molWeight 31.0572;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.87101 0.0123547 -4.28432e-06 6.75001e-10 -3.97145e-14 101341 4.39731 );
|
|
lowCpCoeffs ( 3.00223 0.00489676 2.39707e-05 -3.10277e-08 1.17347e-11 102091 11.3531 );
|
|
}
|
|
}
|
|
o-C6H4ClO_Radical
|
|
{
|
|
specie
|
|
{
|
|
molWeight 127.551;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 15.3869 0.016935 -6.1803e-06 1.00884e-09 -6.08772e-14 -2775.46 -54.3097 );
|
|
lowCpCoeffs ( 0.959696 0.0420022 8.66274e-06 -4.99175e-08 2.53825e-11 1813.42 23.476 );
|
|
}
|
|
}
|
|
C16H34_Hexadecan
|
|
{
|
|
specie
|
|
{
|
|
molWeight 226.449;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 39.3198 0.0911471 -3.39721e-05 5.94437e-09 -3.95796e-13 -65166.6 -166.16 );
|
|
lowCpCoeffs ( -2.28147 0.185128 -9.91782e-05 1.43398e-08 3.73231e-12 -51744.9 56.0025 );
|
|
}
|
|
}
|
|
Sb2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 243.5;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.44926 8.50731e-05 -2.15467e-08 3.72964e-12 -2.34166e-16 27043.2 5.37302 );
|
|
lowCpCoeffs ( 3.59805 0.00506905 -1.10928e-05 1.08165e-08 -3.8745e-12 27164.5 9.16898 );
|
|
}
|
|
}
|
|
Si(cr)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 28.086;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 1690;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.10625 -0.00972085 1.59594e-05 -9.97714e-09 2.25529e-12 -914.566 -18.8608 );
|
|
lowCpCoeffs ( -0.276202 0.0146422 -1.92288e-05 0 0 -398.57 0.325085 );
|
|
}
|
|
}
|
|
C6H14O_3-Hexanol
|
|
{
|
|
specie
|
|
{
|
|
molWeight 102.178;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 15.54 0.0393466 -1.39833e-05 2.24106e-09 -1.33477e-13 -48097.2 -57.8282 );
|
|
lowCpCoeffs ( 7.07296 0.0173557 0.000112931 -1.58288e-07 6.39393e-11 -43621.7 -3.31457 );
|
|
}
|
|
}
|
|
C4H6O2_Diacetyl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 86.0912;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 10.9593 0.0191582 -6.91565e-06 1.11638e-09 -6.67443e-14 -44113.4 -27.6255 );
|
|
lowCpCoeffs ( 5.68608 0.0155041 3.82144e-05 -5.99463e-08 2.47932e-11 -41762.7 4.02905 );
|
|
}
|
|
}
|
|
Al2O2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 85.9618;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 9.14886 0.00138426 -5.42175e-07 9.25639e-11 -5.75686e-15 -51518.7 -18.4652 );
|
|
lowCpCoeffs ( 4.83766 0.016701 -2.23411e-05 1.48422e-08 -3.96196e-12 -50495.7 2.97081 );
|
|
}
|
|
}
|
|
C4H8O__Methyl_Al
|
|
{
|
|
specie
|
|
{
|
|
molWeight 72.1078;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 10.5848 0.0225064 -7.95991e-06 1.27168e-09 -7.55782e-14 -24529.7 -31.0486 );
|
|
lowCpCoeffs ( 3.74728 0.01982 4.63746e-05 -7.56066e-08 3.19922e-11 -21654.5 9.31162 );
|
|
}
|
|
}
|
|
C7H7+_C5H4*CH=CH2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 91.1333;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 13.7057 0.023157 -8.27092e-06 1.33058e-09 -7.94766e-14 121664 -48.9981 );
|
|
lowCpCoeffs ( -2.72312 0.0638005 -3.5717e-05 -2.29125e-09 6.77372e-12 126455 37.0615 );
|
|
}
|
|
}
|
|
Fe2(SO4)3(S)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 399.879;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 2000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 32.168 0.0318255 -2.12063e-05 7.43283e-09 -1.00126e-12 -322888 -158.295 );
|
|
lowCpCoeffs ( 8.82508 0.0999476 -8.1972e-05 1.74027e-08 5.01536e-12 -317047 -39.615 );
|
|
}
|
|
}
|
|
BrF5
|
|
{
|
|
specie
|
|
{
|
|
molWeight 174.893;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 14.4222 0.00165636 -6.5825e-07 1.13445e-10 -7.10134e-15 -56341.4 -44.7396 );
|
|
lowCpCoeffs ( -0.678292 0.0769577 -0.000149146 1.33361e-07 -4.49679e-11 -53715.4 25.3375 );
|
|
}
|
|
}
|
|
Cr(OH)6
|
|
{
|
|
specie
|
|
{
|
|
molWeight 154.04;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 21.8315 0.0114364 -3.65221e-06 5.42193e-10 -3.05422e-14 -130025 -85.2017 );
|
|
lowCpCoeffs ( -5.65718 0.136404 -0.000222736 1.74482e-07 -5.23661e-11 -125010 44.361 );
|
|
}
|
|
}
|
|
MgCl+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 59.7645;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.34295 -0.00378668 2.47048e-06 -5.09946e-10 3.40312e-14 75717.3 -8.24246 );
|
|
lowCpCoeffs ( 3.39161 0.00498823 -8.94226e-06 7.46784e-09 -2.35458e-12 76568.7 7.01404 );
|
|
}
|
|
}
|
|
C8H16,1-octene
|
|
{
|
|
specie
|
|
{
|
|
molWeight 112.217;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 24.3379 0.0322575 -1.0339e-05 1.6536e-09 -1.00909e-13 -21438.4 -98.2405 );
|
|
lowCpCoeffs ( 10.1484 0.00125438 0.000185246 -2.49087e-07 1.00248e-10 -14326.8 -8.51902 );
|
|
}
|
|
}
|
|
NiO(cr)B
|
|
{
|
|
specie
|
|
{
|
|
molWeight 74.7094;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 525;
|
|
Thigh 565;
|
|
Tcommon 525;
|
|
highCpCoeffs 7 { 0 };
|
|
lowCpCoeffs ( -4.05604 0.0202537 0 0 0 -28011.7 22.956 );
|
|
}
|
|
}
|
|
C2H2O__Oxyrene
|
|
{
|
|
specie
|
|
{
|
|
molWeight 42.0376;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.66388 0.00550886 -1.9493e-06 3.11493e-10 -1.85146e-14 30670 -10.6985 );
|
|
lowCpCoeffs ( 1.17381 0.0251336 -2.87272e-05 1.63615e-08 -3.42518e-12 31942.6 16.4915 );
|
|
}
|
|
}
|
|
C3H3_allenyl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 39.0574;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.3298 0.00834146 -2.93568e-06 4.67355e-10 -2.77042e-14 39283.9 -8.87104 );
|
|
lowCpCoeffs ( 1.31886 0.021368 -1.10465e-05 -3.52008e-09 4.055e-12 40665.6 17.0807 );
|
|
}
|
|
}
|
|
C5H9_1buten3m4yl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 69.1275;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.7591 0.022746 -8.21059e-06 1.32807e-09 -7.95689e-14 15643 -40.1708 );
|
|
lowCpCoeffs ( 2.3968 0.0313084 3.22477e-05 -6.76807e-08 3.02708e-11 19420 18.0329 );
|
|
}
|
|
}
|
|
SbCl_singlet
|
|
{
|
|
specie
|
|
{
|
|
molWeight 157.203;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.13379 -0.00057489 2.20989e-07 -3.64007e-11 2.20812e-15 19845 0.659866 );
|
|
lowCpCoeffs ( 2.4133 0.0128929 -2.44407e-05 1.98759e-08 -5.99572e-12 20273.6 13.1774 );
|
|
}
|
|
}
|
|
C2HBr4_1,1,1,2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 344.634;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 14.9022 0.00409313 -1.71942e-06 3.00191e-10 -1.87917e-14 24283.6 -36.8514 );
|
|
lowCpCoeffs ( 5.49339 0.0443775 -7.21639e-05 5.81949e-08 -1.83446e-11 26223.2 8.36337 );
|
|
}
|
|
}
|
|
C6H6O__2,4-cyclo
|
|
{
|
|
specie
|
|
{
|
|
molWeight 94.1141;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.6746 0.0218955 -7.93049e-06 1.28767e-09 -7.7405e-14 -8767.92 -42.9349 );
|
|
lowCpCoeffs ( 1.42906 0.0275022 4.89356e-05 -8.89267e-08 3.89097e-11 -4524.92 21.0316 );
|
|
}
|
|
}
|
|
N4_tetrahedral
|
|
{
|
|
specie
|
|
{
|
|
molWeight 56.0268;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 7.15691 0.00289928 -1.13238e-06 1.92969e-10 -1.1986e-14 88549.5 -14.8667 );
|
|
lowCpCoeffs ( 2.77367 0.00412794 2.67193e-05 -4.36896e-08 1.91734e-11 90168.1 10.0883 );
|
|
}
|
|
}
|
|
IO3
|
|
{
|
|
specie
|
|
{
|
|
molWeight 174.903;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.79039 0.00125738 -4.96752e-07 8.52808e-11 -5.32405e-15 26127.1 -15.9037 );
|
|
lowCpCoeffs ( 1.87546 0.0297338 -4.73077e-05 3.59378e-08 -1.06083e-11 27564.9 17.4919 );
|
|
}
|
|
}
|
|
C2H4O-__Acetalde
|
|
{
|
|
specie
|
|
{
|
|
molWeight 44.0541;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.6745 0.0116561 -4.24331e-06 6.90949e-10 -4.16052e-14 -9391.52 -3.94953 );
|
|
lowCpCoeffs ( 3.87 0.00537883 2.35266e-05 -2.99888e-08 1.09499e-11 -8233.42 8.38649 );
|
|
}
|
|
}
|
|
C9H4__C(CCH)4
|
|
{
|
|
specie
|
|
{
|
|
molWeight 112.132;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 16.4605 0.0185278 -6.71827e-06 1.09152e-09 -6.56382e-14 102992 -62.0999 );
|
|
lowCpCoeffs ( -1.53822 0.0749142 -7.09673e-05 2.98881e-08 -3.00091e-12 107601 29.1041 );
|
|
}
|
|
}
|
|
C2H5O-__Ethoxy_a
|
|
{
|
|
specie
|
|
{
|
|
molWeight 45.0621;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.60272 0.0144834 -5.28185e-06 8.61137e-10 -5.19004e-14 -25116.1 -5.48046 );
|
|
lowCpCoeffs ( 3.88372 0.00362649 3.51129e-05 -4.19768e-08 1.49671e-11 -23727.9 7.57799 );
|
|
}
|
|
}
|
|
C12H4Cl5O2_2p,4,
|
|
{
|
|
specie
|
|
{
|
|
molWeight 357.429;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 39.0489 0.0263533 -9.83706e-06 1.62981e-09 -9.93616e-14 -27154.8 -168.021 );
|
|
lowCpCoeffs ( 2.17884 0.125032 -8.92998e-05 6.87136e-09 1.23136e-11 -16929.3 22.8711 );
|
|
}
|
|
}
|
|
BiCl3
|
|
{
|
|
specie
|
|
{
|
|
molWeight 315.339;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 9.92701 7.76622e-05 -3.1105e-08 5.38855e-12 -3.38511e-16 -34880.5 -11.7106 );
|
|
lowCpCoeffs ( 8.53575 0.00849953 -1.91572e-05 1.89603e-08 -6.85986e-12 -34691.7 -5.56245 );
|
|
}
|
|
}
|
|
C3H2(1)CyPropen
|
|
{
|
|
specie
|
|
{
|
|
molWeight 38.0494;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.69446 0.00653822 -2.35907e-06 3.82037e-10 -2.29227e-14 54926.4 -6.96164 );
|
|
lowCpCoeffs ( 3.18167 -0.000337612 3.95344e-05 -5.49792e-08 2.28335e-11 56181.7 9.06482 );
|
|
}
|
|
}
|
|
BBr2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 170.613;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.68876 0.00014941 4.4399e-09 1.17461e-12 -4.43575e-16 9601.98 -3.11457 );
|
|
lowCpCoeffs ( 3.22727 0.0139741 -2.21303e-05 1.65474e-08 -4.7751e-12 10347.8 13.7175 );
|
|
}
|
|
}
|
|
C6H8__1,4-Cycloh
|
|
{
|
|
specie
|
|
{
|
|
molWeight 80.1307;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 11.4554 0.0258601 -9.40048e-06 1.52963e-09 -9.20744e-14 7038.62 -47.5509 );
|
|
lowCpCoeffs ( 1.9015 0.0148184 9.13316e-05 -1.34622e-07 5.59231e-11 11370.9 10.5009 );
|
|
}
|
|
}
|
|
H2O(cr)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 18.0153;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 273.15;
|
|
Tcommon 273.15;
|
|
highCpCoeffs 7 { 0 };
|
|
lowCpCoeffs ( 5.29678 -0.067575 0.000516943 -1.43853e-06 1.52565e-09 -36226.7 -17.9221 );
|
|
}
|
|
}
|
|
Fe+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 55.8465;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.33602 -0.000272549 8.0544e-09 1.51229e-11 -1.43377e-15 141036 2.86477 );
|
|
lowCpCoeffs ( 2.76418 0.00286948 -7.61236e-06 8.18183e-09 -3.11792e-12 141159 5.53998 );
|
|
}
|
|
}
|
|
C4H5_1-Butayn-3yl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 53.0845;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 9.21572 0.013494 -4.82518e-06 7.76676e-10 -4.64039e-14 34312.9 -22.5233 );
|
|
lowCpCoeffs ( 2.15189 0.0305033 -1.64053e-05 -1.54978e-11 2.38039e-12 36444.8 14.71 );
|
|
}
|
|
}
|
|
s-(CH3)2N-NO2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 90.0823;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.4704 0.0186035 -6.89302e-06 1.13155e-09 -6.84339e-14 -6246.84 -39.5039 );
|
|
lowCpCoeffs ( 4.2251 0.0224382 3.20606e-05 -5.84889e-08 2.50091e-11 -3013.8 7.7452 );
|
|
}
|
|
}
|
|
C5H11,t-pentyl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 71.1434;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 9.23109 0.0311689 -1.12479e-05 1.82091e-09 -1.09205e-13 -1600.63 -20.6136 );
|
|
lowCpCoeffs ( 6.44629 -0.00954232 0.000137892 -1.69242e-07 6.53098e-11 1508.39 5.43062 );
|
|
}
|
|
}
|
|
PCl2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 101.88;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.65256 0.000366312 -1.45952e-07 2.51966e-11 -1.57909e-15 -8615.72 -3.93039 );
|
|
lowCpCoeffs ( 2.59493 0.0217863 -4.43055e-05 4.09655e-08 -1.41447e-11 -7954.69 14.6475 );
|
|
}
|
|
}
|
|
C10H9_2-hydro_Rad
|
|
{
|
|
specie
|
|
{
|
|
molWeight 129.183;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 19.6879 0.032052 -1.16715e-05 1.90182e-09 -1.14604e-13 18010 -82.9834 );
|
|
lowCpCoeffs ( -1.21356 0.0548914 5.55281e-05 -1.24861e-07 5.75105e-11 25257.5 32.8078 );
|
|
}
|
|
}
|
|
PbI4
|
|
{
|
|
specie
|
|
{
|
|
molWeight 714.808;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.9129 9.26272e-05 -3.70961e-08 6.42614e-12 -4.03679e-16 -8828.56 -17.8595 );
|
|
lowCpCoeffs ( 11.2667 0.0100373 -2.2591e-05 2.23389e-08 -8.07735e-12 -8604.41 -10.5804 );
|
|
}
|
|
}
|
|
C7H16(L)_n-Heptan
|
|
{
|
|
specie
|
|
{
|
|
molWeight 100.206;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 380;
|
|
Tcommon 380;
|
|
highCpCoeffs 7 { 0 };
|
|
lowCpCoeffs ( 69.8059 -0.630276 0.00308862 -6.40122e-06 5.0957e-09 -36823.8 -261.086 );
|
|
}
|
|
}
|
|
CrN
|
|
{
|
|
specie
|
|
{
|
|
molWeight 66.0027;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.96861 0.000657442 -3.17629e-07 7.54136e-11 -5.64394e-15 59434.8 4.7193 );
|
|
lowCpCoeffs ( 3.39162 -0.000432074 7.75749e-06 -1.09365e-08 4.59771e-12 59697.1 8.27678 );
|
|
}
|
|
}
|
|
C3H5OH__Propenol
|
|
{
|
|
specie
|
|
{
|
|
molWeight 58.0807;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.72477 0.0163943 -5.90853e-06 9.53262e-10 -5.70318e-14 -19049.7 -19.7199 );
|
|
lowCpCoeffs ( 3.15012 0.0128538 4.28438e-05 -6.67819e-08 2.80408e-11 -16641.4 13.5066 );
|
|
}
|
|
}
|
|
C3H3-_CH2=C=CH*-
|
|
{
|
|
specie
|
|
{
|
|
molWeight 39.0579;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.35133 0.00846371 -3.01109e-06 4.82812e-10 -2.87625e-14 28192.5 -9.06992 );
|
|
lowCpCoeffs ( 1.19894 0.0263062 -2.85529e-05 1.82108e-08 -4.90508e-12 29480.8 16.7597 );
|
|
}
|
|
}
|
|
C2HBr5
|
|
{
|
|
specie
|
|
{
|
|
molWeight 424.535;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 16.6082 0.00506291 -2.03596e-06 3.48536e-10 -2.15901e-14 7942.36 -44.4035 );
|
|
lowCpCoeffs ( 6.69308 0.043413 -6.15644e-05 4.36744e-08 -1.2254e-11 10140.2 4.11774 );
|
|
}
|
|
}
|
|
C6H14_2,2-DMButan
|
|
{
|
|
specie
|
|
{
|
|
molWeight 86.1785;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.2508 0.0378131 -1.34821e-05 2.16238e-09 -1.28777e-13 -28679.9 -38.4716 );
|
|
lowCpCoeffs ( 5.49652 0.0315927 4.50153e-05 -7.29286e-08 2.94394e-11 -25455.5 2.79513 );
|
|
}
|
|
}
|
|
s-1-C10H7CHO
|
|
{
|
|
specie
|
|
{
|
|
molWeight 156.186;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 24.2593 0.0316037 -1.18467e-05 1.96729e-09 -1.20097e-13 -7833.89 -107.719 );
|
|
lowCpCoeffs ( -0.37514 0.0611007 4.92528e-05 -1.17296e-07 5.31811e-11 841.138 28.8323 );
|
|
}
|
|
}
|
|
S2-
|
|
{
|
|
specie
|
|
{
|
|
molWeight 64.1285;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.64894 -8.41187e-05 3.71001e-08 4.56014e-13 -6.04689e-16 -5850.9 0.994122 );
|
|
lowCpCoeffs ( 2.90931 0.00998626 -2.10252e-05 1.90844e-08 -6.35294e-12 -5626.2 8.69857 );
|
|
}
|
|
}
|
|
C6H10_CyC5H7-CH3
|
|
{
|
|
specie
|
|
{
|
|
molWeight 82.1466;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 11.7598 0.0302653 -1.09337e-05 1.77193e-09 -1.06366e-13 -5563.08 -42.4416 );
|
|
lowCpCoeffs ( 2.7731 0.00917838 0.000117714 -1.62911e-07 6.60032e-11 -966.457 14.7666 );
|
|
}
|
|
}
|
|
C3H3__Propargyl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 39.0574;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 7.14222 0.00761902 -2.6746e-06 4.24915e-10 -2.51475e-14 39571 -12.5849 );
|
|
lowCpCoeffs ( 1.35111 0.0327411 -4.73827e-05 3.7631e-08 -1.18541e-11 40768 15.2059 );
|
|
}
|
|
}
|
|
C4H7__2-me-allyl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 55.1004;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.3497 0.0192508 -6.8136e-06 1.08485e-09 -6.42422e-14 12440.7 -18.7061 );
|
|
lowCpCoeffs ( 2.3874 0.0206785 2.893e-05 -5.37553e-08 2.3567e-11 14758.4 15.5529 );
|
|
}
|
|
}
|
|
SiF2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 66.0828;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.19391 0.000833925 -3.28509e-07 5.62902e-11 -3.50955e-15 -77483.2 -5.09916 );
|
|
lowCpCoeffs ( 2.9718 0.0112489 -1.21015e-05 4.86338e-09 -2.30419e-13 -76700.7 11.0843 );
|
|
}
|
|
}
|
|
C5H3Cl3O_1-hydro
|
|
{
|
|
specie
|
|
{
|
|
molWeight 185.438;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 19.7506 0.0123108 -4.45238e-06 7.22906e-10 -4.34762e-14 -20191.1 -71.6503 );
|
|
lowCpCoeffs ( 0.445787 0.0764329 -8.51511e-05 4.54054e-08 -8.84467e-12 -15458.2 25.2358 );
|
|
}
|
|
}
|
|
s-(CH2I)2_DiIodoet
|
|
{
|
|
specie
|
|
{
|
|
molWeight 281.863;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.99792 0.0113469 -4.02539e-06 6.44386e-10 -3.83492e-14 5044.74 -14.8316 );
|
|
lowCpCoeffs ( 4.91612 0.00985178 2.94591e-05 -4.77834e-08 2.04818e-11 6715.49 9.12985 );
|
|
}
|
|
}
|
|
C6H5O_phenyox_ra
|
|
{
|
|
specie
|
|
{
|
|
molWeight 93.1061;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 13.9195 0.0182693 -6.66348e-06 1.08703e-09 -6.55587e-14 1018.26 -50.3399 );
|
|
lowCpCoeffs ( -0.31309 0.0391634 2.25817e-05 -6.76855e-08 3.28002e-11 5675.35 27.1661 );
|
|
}
|
|
}
|
|
C10H7I__1-Iodona
|
|
{
|
|
specie
|
|
{
|
|
molWeight 254.072;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 18.9061 0.0327871 -1.33178e-05 2.46737e-09 -1.71269e-13 19155.1 -74.0258 );
|
|
lowCpCoeffs ( 4.93334 0.0380083 6.0722e-05 -1.1255e-07 4.95583e-11 24645.9 6.16018 );
|
|
}
|
|
}
|
|
C6H
|
|
{
|
|
specie
|
|
{
|
|
molWeight 73.0749;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 11.6157 0.00715667 -2.60557e-06 4.24485e-10 -2.5575e-14 116138 -32.3418 );
|
|
lowCpCoeffs ( 0.905835 0.0607761 -0.000112134 1.02799e-07 -3.57814e-11 118105 17.5981 );
|
|
}
|
|
}
|
|
C2Cl3_RAD
|
|
{
|
|
specie
|
|
{
|
|
molWeight 130.381;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 10.6436 0.00237601 -9.22163e-07 1.56548e-10 -9.69959e-15 25062.2 -22.0413 );
|
|
lowCpCoeffs ( 2.93699 0.034941 -5.79185e-05 4.75992e-08 -1.53144e-11 26685.4 15.1395 );
|
|
}
|
|
}
|
|
C5F6___CycloPerF
|
|
{
|
|
specie
|
|
{
|
|
molWeight 174.046;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 21.1653 0.00987526 -3.82244e-06 6.47724e-10 -4.00808e-14 -120272 -79.1397 );
|
|
lowCpCoeffs ( 3.04486 0.0662763 -7.30154e-05 4.11912e-08 -9.67129e-12 -115497 13.1205 );
|
|
}
|
|
}
|
|
CH2Br-CH2Br
|
|
{
|
|
specie
|
|
{
|
|
molWeight 187.856;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 9.36432 0.0110026 -4.09731e-06 6.76536e-10 -4.11107e-14 -8492.21 -18.5402 );
|
|
lowCpCoeffs ( 4.62116 0.00941442 3.26665e-05 -5.17217e-08 2.19246e-11 -6503.17 9.40527 );
|
|
}
|
|
}
|
|
AlH2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 28.9974;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.20321 0.0024897 -8.65812e-07 1.44802e-10 -9.17042e-15 31752.3 0.617097 );
|
|
lowCpCoeffs ( 3.90105 -0.0003775 7.9419e-06 -7.98142e-09 2.47871e-12 32086.2 3.2545 );
|
|
}
|
|
}
|
|
HNNH-__cis____HF
|
|
{
|
|
specie
|
|
{
|
|
molWeight 30.0299;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.11845 0.00518947 -1.85279e-06 2.97751e-10 -1.77642e-14 31022.9 2.17323 );
|
|
lowCpCoeffs ( 3.40379 0.0036697 6.39821e-06 -9.21873e-09 3.48215e-12 31426.2 6.80138 );
|
|
}
|
|
}
|
|
HCO3-__gas
|
|
{
|
|
specie
|
|
{
|
|
molWeight 61.0179;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 7.36646 0.00500158 -1.80068e-06 2.91606e-10 -1.75098e-14 -91570.2 -12.3984 );
|
|
lowCpCoeffs ( 0.636697 0.0265848 -2.84827e-05 1.53638e-08 -3.26114e-12 -89857.4 21.6338 );
|
|
}
|
|
}
|
|
CF3I_TrifluoroIo
|
|
{
|
|
specie
|
|
{
|
|
molWeight 195.911;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 10.3751 0.00268796 -1.05252e-06 1.79661e-10 -1.11724e-14 -74524.8 -24.0255 );
|
|
lowCpCoeffs ( 2.56292 0.0285073 -3.36989e-05 1.87294e-08 -3.92163e-12 -72595.4 15.2377 );
|
|
}
|
|
}
|
|
CH2N2_H2C=N=N
|
|
{
|
|
specie
|
|
{
|
|
molWeight 42.0405;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.4851 0.00647548 -2.277e-06 3.62252e-10 -2.14627e-14 30158.2 -4.44806 );
|
|
lowCpCoeffs ( 2.70017 0.0153946 -1.42688e-05 8.44886e-09 -2.2504e-12 30905 9.72801 );
|
|
}
|
|
}
|
|
Cu2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 127.08;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.40084 0.000240899 -8.72979e-08 1.96625e-11 -1.24068e-15 57046.9 3.91802 );
|
|
lowCpCoeffs ( 3.62098 0.0050065 -1.08445e-05 1.05826e-08 -3.79269e-12 57147.2 7.34499 );
|
|
}
|
|
}
|
|
C6H8_CY_C5H5-1-CH3
|
|
{
|
|
specie
|
|
{
|
|
molWeight 80.1307;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 11.2003 0.0250105 -8.94915e-06 1.4411e-09 -8.61257e-14 7660.97 -36.8265 );
|
|
lowCpCoeffs ( 2.93206 0.0112663 9.41194e-05 -1.36178e-07 5.64769e-11 11537.3 14.2304 );
|
|
}
|
|
}
|
|
C4H5O2_2MeAcrylat
|
|
{
|
|
specie
|
|
{
|
|
molWeight 85.0833;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 11.4691 0.0160273 -5.78584e-06 9.33384e-10 -5.57685e-14 -11693.7 -26.6593 );
|
|
lowCpCoeffs ( 5.43293 0.0252566 1.51671e-06 -1.89254e-08 9.30732e-12 -9614.35 6.43512 );
|
|
}
|
|
}
|
|
C5H12O_MTBE
|
|
{
|
|
specie
|
|
{
|
|
molWeight 88.1508;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 13.4771 0.0323562 -1.1586e-05 1.86586e-09 -1.11493e-13 -41411.9 -45.9086 );
|
|
lowCpCoeffs ( 4.65588 0.0330754 4.06415e-05 -7.36683e-08 3.12971e-11 -37757.6 5.51916 );
|
|
}
|
|
}
|
|
Ca(a)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 40.08;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 716;
|
|
Tcommon 716;
|
|
highCpCoeffs 7 { 0 };
|
|
lowCpCoeffs ( 3.03326 -0.001418 7.24488e-06 -6.68791e-09 2.49904e-12 -893.311 -12.0114 );
|
|
}
|
|
}
|
|
Bi2___GAS
|
|
{
|
|
specie
|
|
{
|
|
molWeight 417.96;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 3000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.68676 0.0011276 -1.91694e-07 -3.45717e-12 1.96446e-15 25457 12.4648 );
|
|
lowCpCoeffs ( 4.0642 0.00257463 -5.60348e-06 5.38054e-09 -1.79472e-12 25173.3 9.77088 );
|
|
}
|
|
}
|
|
CFBr3
|
|
{
|
|
specie
|
|
{
|
|
molWeight 270.712;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 11.5902 0.0014576 -5.74056e-07 9.83587e-11 -6.13237e-15 -19727.8 -25.4447 );
|
|
lowCpCoeffs ( 3.96252 0.0350683 -6.07742e-05 5.06033e-08 -1.62939e-11 -18207.4 10.9721 );
|
|
}
|
|
}
|
|
C5H7_Cy-1en-4-yl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 67.1115;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.58775 0.0223807 -7.98587e-06 1.28325e-09 -7.65682e-14 22308.4 -22.8844 );
|
|
lowCpCoeffs ( 2.84228 0.00767442 8.13034e-05 -1.15128e-07 4.74968e-11 25231.9 13.7758 );
|
|
}
|
|
}
|
|
C2H5O2_HOCH2CH2O
|
|
{
|
|
specie
|
|
{
|
|
molWeight 61.061;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 7.58429 0.0143741 -5.10671e-06 8.1528e-10 -4.84032e-14 -22765.1 -9.23006 );
|
|
lowCpCoeffs ( 6.13357 -0.00635578 7.27612e-05 -8.99937e-08 3.50732e-11 -21227.5 4.0763 );
|
|
}
|
|
}
|
|
ZrF________GAS
|
|
{
|
|
specie
|
|
{
|
|
molWeight 110.218;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.38689 0.00204601 -7.59177e-07 1.26057e-10 -7.58364e-15 8909.67 9.52192 );
|
|
lowCpCoeffs ( 2.69236 0.00748052 -1.33818e-05 1.1995e-08 -3.99389e-12 8924.5 12.2366 );
|
|
}
|
|
}
|
|
PbF3
|
|
{
|
|
specie
|
|
{
|
|
molWeight 264.185;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 9.39299 0.000639307 -2.5456e-07 4.39278e-11 -2.75218e-15 -61861.3 -16.0342 );
|
|
lowCpCoeffs ( 2.60791 0.0360809 -7.27567e-05 6.68991e-08 -2.30122e-11 -60741.5 15.1122 );
|
|
}
|
|
}
|
|
C2H3__Vinyl_Radi
|
|
{
|
|
specie
|
|
{
|
|
molWeight 27.0462;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.15027 0.00754021 -2.62998e-06 4.15974e-10 -2.45408e-14 33856.6 1.72812 );
|
|
lowCpCoeffs ( 3.36378 0.000265766 2.79621e-05 -3.72987e-08 1.5159e-11 34475 7.9151 );
|
|
}
|
|
}
|
|
C3H8
|
|
{
|
|
specie
|
|
{
|
|
molWeight 44.0972;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.6692 0.0206109 -7.36512e-06 1.18434e-09 -7.06915e-14 -16275.4 -13.1943 );
|
|
lowCpCoeffs ( 4.21093 0.00170887 7.0653e-05 -9.20061e-08 3.64618e-11 -14381.1 5.61004 );
|
|
}
|
|
}
|
|
C3H5NO2_NitroCy
|
|
{
|
|
specie
|
|
{
|
|
molWeight 87.0788;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.8563 0.016038 -5.91816e-06 9.70787e-10 -5.87173e-14 -3301.91 -43.4061 );
|
|
lowCpCoeffs ( 2.06485 0.0206828 5.54676e-05 -9.7508e-08 4.3181e-11 677.007 17.8174 );
|
|
}
|
|
}
|
|
C6H13__2M-5yl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 85.1705;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 13.0255 0.0346053 -1.24155e-05 1.99659e-09 -1.19051e-13 -2775.15 -37.2135 );
|
|
lowCpCoeffs ( 6.6063 0.0198624 7.69758e-05 -1.11918e-07 4.55661e-11 559.979 3.72646 );
|
|
}
|
|
}
|
|
Po_Polonium_(cr)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 210;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 527;
|
|
Tcommon 527;
|
|
highCpCoeffs 7 { 0 };
|
|
lowCpCoeffs ( -35.779 0.376088 -0.00134882 2.13365e-06 -1.24945e-09 2241.46 142.749 );
|
|
}
|
|
}
|
|
NITROGLICERINE
|
|
{
|
|
specie
|
|
{
|
|
molWeight 227.088;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 32.4464 0.024415 -9.67605e-06 1.65298e-09 -1.02555e-13 -46589.6 -131.431 );
|
|
lowCpCoeffs ( 5.70798 0.0952018 -7.18229e-05 1.66305e-08 3.01836e-12 -38897.5 7.78536 );
|
|
}
|
|
}
|
|
BiF3
|
|
{
|
|
specie
|
|
{
|
|
molWeight 265.975;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 9.21497 0.000820517 -3.25232e-07 5.59548e-11 -3.49842e-15 -88127.9 -15.5992 );
|
|
lowCpCoeffs ( 3.40454 0.0269571 -4.72412e-05 3.89816e-08 -1.23394e-11 -87011.3 11.9679 );
|
|
}
|
|
}
|
|
C4H9_s-butyl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 57.1163;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 7.72287 0.0243427 -8.65476e-06 1.38713e-09 -8.26084e-14 4150.04 -14.395 );
|
|
lowCpCoeffs ( 5.42089 -0.000912147 8.84999e-05 -1.12116e-07 4.38223e-11 6289.27 5.0421 );
|
|
}
|
|
}
|
|
C2F3
|
|
{
|
|
specie
|
|
{
|
|
molWeight 81.0175;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 9.28002 0.00372628 -1.44028e-06 2.43838e-10 -1.50794e-14 -30844.9 -19.233 );
|
|
lowCpCoeffs ( 2.41464 0.0268292 -3.39283e-05 2.31906e-08 -6.71131e-12 -29099 15.3577 );
|
|
}
|
|
}
|
|
C3HCl2*__Radical
|
|
{
|
|
specie
|
|
{
|
|
molWeight 107.947;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 10.3876 0.00509666 -1.85705e-06 3.02772e-10 -1.82538e-14 35821.6 -20.4692 );
|
|
lowCpCoeffs ( 3.59527 0.0323936 -4.79317e-05 3.78028e-08 -1.19483e-11 37334.6 12.6734 );
|
|
}
|
|
}
|
|
Pd(g)__Paladium
|
|
{
|
|
specie
|
|
{
|
|
molWeight 106.4;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.2494 -0.00130875 2.20701e-06 -6.42333e-10 5.30373e-14 44802.1 7.99289 );
|
|
lowCpCoeffs ( 2.53083 -0.000289352 9.85257e-07 -1.44509e-09 7.76726e-13 44474.1 5.727 );
|
|
}
|
|
}
|
|
C2H5F
|
|
{
|
|
specie
|
|
{
|
|
molWeight 48.0606;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.18082 0.013589 -4.8704e-06 7.84862e-10 -4.69209e-14 -35834.1 -7.96595 );
|
|
lowCpCoeffs ( 4.00577 -0.000311044 5.57189e-05 -7.28405e-08 2.90642e-11 -34321.4 7.92813 );
|
|
}
|
|
}
|
|
C9H7N_QUINOLINE
|
|
{
|
|
specie
|
|
{
|
|
molWeight 129.163;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 18.5756 0.0279426 -1.02523e-05 1.67898e-09 -1.01528e-13 15129.5 -77.5919 );
|
|
lowCpCoeffs ( -1.13618 0.0484964 5.58566e-05 -1.20327e-07 5.49531e-11 22018.5 31.8686 );
|
|
}
|
|
}
|
|
C6H6_Fulvene
|
|
{
|
|
specie
|
|
{
|
|
molWeight 78.1147;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 11.4345 0.0199371 -7.13567e-06 1.14952e-09 -6.87264e-14 20441.1 -38.68 );
|
|
lowCpCoeffs ( 0.509715 0.0258196 5.06505e-05 -9.32594e-08 4.15964e-11 24431.9 23.0638 );
|
|
}
|
|
}
|
|
Fe(a)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 55.847;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 1042;
|
|
Thigh 1184;
|
|
Tcommon 1042;
|
|
highCpCoeffs ( 659.678 -1.14058 0.000496306 0 0 -252107 -3656.65 );
|
|
lowCpCoeffs 7 { 0 };
|
|
}
|
|
}
|
|
Fe-
|
|
{
|
|
specie
|
|
{
|
|
molWeight 55.8475;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.36311 -0.000829375 3.12426e-07 -5.20068e-11 3.17875e-15 46356.4 2.76802 );
|
|
lowCpCoeffs ( 1.52175 0.00979673 -2.11079e-05 1.84821e-08 -5.89537e-12 46571 10.8683 );
|
|
}
|
|
}
|
|
C2(NO2)4_NO_HF
|
|
{
|
|
specie
|
|
{
|
|
molWeight 208.044;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 29.3746 0.00952233 -4.15476e-06 7.4364e-10 -4.73973e-14 -11173.7 -118.33 );
|
|
lowCpCoeffs ( 5.73271 0.0671447 -3.79861e-05 -1.32109e-08 1.3758e-11 -4338.36 5.47592 );
|
|
}
|
|
}
|
|
FSSF_Difluorodis
|
|
{
|
|
specie
|
|
{
|
|
molWeight 102.125;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 9.11491 0.000925556 -3.66976e-07 6.31497e-11 -3.94882e-15 -41732.7 -17.3686 );
|
|
lowCpCoeffs ( 2.22665 0.0328125 -5.92797e-05 5.02331e-08 -1.62599e-11 -40441.7 15.1239 );
|
|
}
|
|
}
|
|
PbO
|
|
{
|
|
specie
|
|
{
|
|
molWeight 223.189;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.74572 0.00133518 -8.10893e-07 2.07122e-10 -1.53836e-14 7016.03 7.13168 );
|
|
lowCpCoeffs ( 2.85133 0.00517779 -6.43571e-06 3.48236e-09 -6.14028e-13 7164.97 11.3376 );
|
|
}
|
|
}
|
|
CH3CH__singlet
|
|
{
|
|
specie
|
|
{
|
|
molWeight 28.0542;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.41071 0.0101797 -3.62369e-06 5.81173e-10 -3.46246e-14 42017 -1.62409 );
|
|
lowCpCoeffs ( 3.33193 0.00263201 2.75615e-05 -3.63484e-08 1.43362e-11 42832.8 6.50015 );
|
|
}
|
|
}
|
|
C5H4_1,2_diene4yne
|
|
{
|
|
specie
|
|
{
|
|
molWeight 64.0876;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 10.2699 0.0130735 -4.68905e-06 7.56153e-10 -4.52308e-14 47827.7 -27.5296 );
|
|
lowCpCoeffs ( 0.86543 0.041517 -3.54484e-05 1.30559e-08 -6.24737e-13 50304.5 20.4153 );
|
|
}
|
|
}
|
|
C7H15__NEOPENTYL-2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 99.1976;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 15.4724 0.0398402 -1.42645e-05 2.29169e-09 -1.36572e-13 -8046.02 -50.8362 );
|
|
lowCpCoeffs ( 6.14237 0.0431168 3.15175e-05 -6.5868e-08 2.82944e-11 -4261.3 3.05761 );
|
|
}
|
|
}
|
|
MgSO4(II)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 120.374;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 500;
|
|
Thigh 1283;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 1880.5 -4.7915 0.00408898 -1.15736e-06 0 -706535 -9819.39 );
|
|
lowCpCoeffs ( 930.412 -6.50209 0.0158616 -1.61765e-05 5.90721e-09 -252009 -3902.53 );
|
|
}
|
|
}
|
|
Ni+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 58.7095;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.76944 -0.00179085 1.00803e-06 -1.86373e-10 1.13686e-14 139772 -0.446976 );
|
|
lowCpCoeffs ( 2.69406 -0.00220859 7.7533e-06 -8.46349e-09 3.03632e-12 140272 6.02934 );
|
|
}
|
|
}
|
|
N2O_cyclo_O(NN)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 44.0128;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.30339 0.00165205 -6.27741e-07 1.05116e-10 -6.45213e-15 40384.5 -2.02053 );
|
|
lowCpCoeffs ( 3.41662 0.00860086 -1.2177e-05 9.92351e-09 -3.33763e-12 40858.3 7.39864 );
|
|
}
|
|
}
|
|
C2H3O_Oxyrane_Rad
|
|
{
|
|
specie
|
|
{
|
|
molWeight 43.0456;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.60158 0.00917614 -3.28029e-06 5.27904e-10 -3.15362e-14 17144.6 -5.47229 );
|
|
lowCpCoeffs ( 3.58349 -0.00602276 6.32427e-05 -8.18541e-08 3.30445e-11 18568.1 9.59726 );
|
|
}
|
|
}
|
|
S2Cl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 99.581;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.6232 0.000418285 -1.7566e-07 3.0972e-11 -1.75157e-15 7374.96 -2.98512 );
|
|
lowCpCoeffs ( 2.97427 0.0190783 -3.76265e-05 3.40375e-08 -1.15685e-11 7989.23 13.8424 );
|
|
}
|
|
}
|
|
SnH4
|
|
{
|
|
specie
|
|
{
|
|
molWeight 122.722;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.87731 0.00600436 -2.29127e-06 3.84721e-10 -2.36582e-14 16736.1 -14.5555 );
|
|
lowCpCoeffs ( 1.45449 0.0197332 -1.50202e-05 5.71808e-09 -9.34057e-13 18386.2 13.9895 );
|
|
}
|
|
}
|
|
NOH+_cation
|
|
{
|
|
specie
|
|
{
|
|
molWeight 31.0135;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.51426 0.00311131 -1.11917e-06 1.80755e-10 -1.08215e-14 138665 6.03767 );
|
|
lowCpCoeffs ( 4.08416 -0.00241926 1.18224e-05 -1.16756e-08 3.86465e-12 138736 4.14404 );
|
|
}
|
|
}
|
|
C3H2Cl2__1,2_Dic
|
|
{
|
|
specie
|
|
{
|
|
molWeight 108.955;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 10.3331 0.00775153 -2.79678e-06 4.53009e-10 -2.71877e-14 15459.4 -24.2611 );
|
|
lowCpCoeffs ( 2.59185 0.0307038 -2.61041e-05 8.06654e-09 4.5554e-13 17493.6 15.2565 );
|
|
}
|
|
}
|
|
O_singlet_(excite)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 15.9994;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.49368 1.37618e-05 -1.00401e-08 2.76012e-12 -2.01598e-16 51998.6 4.65051 );
|
|
lowCpCoeffs ( 2.49994 1.71935e-07 -3.45215e-10 3.71342e-13 -1.70964e-16 51996.5 4.61685 );
|
|
}
|
|
}
|
|
C3H4O__Acrolein
|
|
{
|
|
specie
|
|
{
|
|
molWeight 56.0647;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.20655 0.0128493 -4.64285e-06 7.51739e-10 -4.51298e-14 -11883.8 -14.9882 );
|
|
lowCpCoeffs ( 4.69869 0.00499966 4.38587e-05 -6.12884e-08 2.48509e-11 -10087.5 7.29812 );
|
|
}
|
|
}
|
|
C6H13_n-hexyl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 85.1705;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 13.9163 0.0348511 -1.26899e-05 2.07144e-09 -1.24757e-13 -4017.86 -43.3072 );
|
|
lowCpCoeffs ( 8.76349 0.00216245 0.000131675 -1.73828e-07 6.92518e-11 -542.631 -5.9173 );
|
|
}
|
|
}
|
|
C2Cl3F3_FC-113
|
|
{
|
|
specie
|
|
{
|
|
molWeight 187.377;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 18.3803 0.00334279 -1.41694e-06 2.51014e-10 -1.59293e-14 -94517.9 -62.2024 );
|
|
lowCpCoeffs ( 2.33826 0.0632158 -9.04107e-05 6.236e-08 -1.69622e-11 -90885.8 16.7698 );
|
|
}
|
|
}
|
|
HI
|
|
{
|
|
specie
|
|
{
|
|
molWeight 127.912;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.97348 0.00143565 -5.02266e-07 8.1577e-11 -4.90179e-15 2254.05 7.52526 );
|
|
lowCpCoeffs ( 3.555 -0.00034892 2.02666e-07 1.78572e-09 -1.21092e-12 2145.01 4.67388 );
|
|
}
|
|
}
|
|
C2HF2__CHF=CF(E)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 63.0271;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 7.87499 0.00477135 -1.76601e-06 2.90904e-10 -1.76624e-14 -8088.47 -13.6037 );
|
|
lowCpCoeffs ( 3.0869 0.0160213 -7.49407e-06 -3.65235e-09 3.19176e-12 -6672.08 11.5974 );
|
|
}
|
|
}
|
|
Al2O3(a)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 101.961;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 1200;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.60994 0.0376024 -4.63475e-05 2.73302e-08 -6.21673e-12 -203703 -18.3258 );
|
|
lowCpCoeffs ( -8.37649 0.109324 -0.000225731 2.29483e-07 -9.22596e-11 -202317 29.4431 );
|
|
}
|
|
}
|
|
CD
|
|
{
|
|
specie
|
|
{
|
|
molWeight 14.0252;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 300;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.68415 0.00188558 -4.86283e-07 3.84417e-11 6.46054e-16 70531.8 7.03228 );
|
|
lowCpCoeffs ( 3.5428 -0.00047721 1.06563e-06 7.34588e-10 -7.43289e-13 70311.9 2.64169 );
|
|
}
|
|
}
|
|
N2O+_O(NN)+_cycl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 44.0123;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.33555 0.00165668 -6.37906e-07 1.07734e-10 -6.65139e-15 180537 -2.12467 );
|
|
lowCpCoeffs ( 2.74689 0.00965277 -1.04536e-05 5.9193e-09 -1.41001e-12 181228 11.0825 );
|
|
}
|
|
}
|
|
C4H6S_2,5-dihydro
|
|
{
|
|
specie
|
|
{
|
|
molWeight 86.1564;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 9.89337 0.0187379 -6.7243e-06 1.08493e-09 -6.49268e-14 5446.32 -28.7653 );
|
|
lowCpCoeffs ( 1.98862 0.0154519 5.98447e-05 -9.50792e-08 4.0721e-11 8688.27 17.6985 );
|
|
}
|
|
}
|
|
Pt
|
|
{
|
|
specie
|
|
{
|
|
molWeight 195.09;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.20314 -0.00422285 2.12931e-06 -4.1558e-10 2.81435e-14 66641.3 -5.30339 );
|
|
lowCpCoeffs ( -0.298615 0.0155746 -1.43355e-05 0 0 67476.8 20.8364 );
|
|
}
|
|
}
|
|
C3H6O2_Hydroaceto
|
|
{
|
|
specie
|
|
{
|
|
molWeight 74.0801;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 11.0374 0.0169177 -5.98873e-06 9.57507e-10 -5.69424e-14 -47927 -28.8076 );
|
|
lowCpCoeffs ( 3.52625 0.0266035 1.1509e-05 -3.53751e-08 1.66033e-11 -45340.2 12.5889 );
|
|
}
|
|
}
|
|
C2H4O2+_CH3COOH+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 60.0524;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 7.84748 0.0132423 -5.13411e-06 8.70237e-10 -5.38279e-14 103068 -15.385 );
|
|
lowCpCoeffs ( 1.32659 0.0234219 -2.11451e-06 -1.12288e-08 5.3669e-12 105433 20.6481 );
|
|
}
|
|
}
|
|
C12H8S_DiBenzoTh
|
|
{
|
|
specie
|
|
{
|
|
molWeight 184.262;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 24.0524 0.033591 -1.22513e-05 1.99893e-09 -1.20581e-13 14089.4 -106.242 );
|
|
lowCpCoeffs ( -1.32116 0.0682757 4.49369e-05 -1.2266e-07 5.8039e-11 22590.6 32.7671 );
|
|
}
|
|
}
|
|
W(L)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 183.85;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 3680;
|
|
Thigh 6000;
|
|
Tcommon 3680;
|
|
highCpCoeffs ( 4.27734 0 0 0 0 2754.67 -20.8629 );
|
|
lowCpCoeffs 7 { 0 };
|
|
}
|
|
}
|
|
BH2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 12.8269;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.17824 0.00339802 -1.17145e-06 1.83694e-10 -1.07698e-14 38469.3 4.2372 );
|
|
lowCpCoeffs ( 3.81925 0.000499293 3.63772e-06 -3.55526e-09 1.17673e-12 38371.9 1.2528 );
|
|
}
|
|
}
|
|
H3PO4(cr)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 97.9953;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 315.5;
|
|
Tcommon 315.5;
|
|
highCpCoeffs 7 { 0 };
|
|
lowCpCoeffs ( 1.52628 0.03809 1.30333e-06 -9.13754e-09 0 -156629 -6.73453 );
|
|
}
|
|
}
|
|
Mg2TiO4(L)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 160.522;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 2013;
|
|
Thigh 6000;
|
|
Tcommon 2013;
|
|
highCpCoeffs ( 27.4756 0 0 0 0 -261526 -147.449 );
|
|
lowCpCoeffs 7 { 0 };
|
|
}
|
|
}
|
|
Br2(L)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 159.802;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 265.9;
|
|
Thigh 332.503;
|
|
Tcommon 332.5;
|
|
highCpCoeffs 7 { 0 };
|
|
lowCpCoeffs ( 10.4346 0.111059 -0.00106797 3.25845e-06 -3.27383e-09 -3506.76 -49.1093 );
|
|
}
|
|
}
|
|
C13H9N_PHENANTHRI
|
|
{
|
|
specie
|
|
{
|
|
molWeight 179.223;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 26.5281 0.0372383 -1.36797e-05 2.24215e-09 -1.35664e-13 16382.8 -121.652 );
|
|
lowCpCoeffs ( -3.42969 0.0874938 2.13316e-05 -1.068e-07 5.35979e-11 26056.4 40.4426 );
|
|
}
|
|
}
|
|
NiS(L)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 90.774;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 1249;
|
|
Thigh 6000;
|
|
Tcommon 1249;
|
|
highCpCoeffs ( 9.23398 0 0 0 0 -11053.1 -45.7667 );
|
|
lowCpCoeffs 7 { 0 };
|
|
}
|
|
}
|
|
CH2-_anion
|
|
{
|
|
specie
|
|
{
|
|
molWeight 14.0276;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.88848 0.00370456 -1.33931e-06 2.16934e-10 -1.301e-14 37727 6.04223 );
|
|
lowCpCoeffs ( 4.44328 -0.00410771 1.1819e-05 -9.07362e-09 2.37673e-12 37536.9 -0.965417 );
|
|
}
|
|
}
|
|
C5H2_*HC=C=C=C=C
|
|
{
|
|
specie
|
|
{
|
|
molWeight 62.0717;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 10.9573 0.00808126 -3.0105e-06 4.97347e-10 -3.02395e-14 78931.1 -34.0756 );
|
|
lowCpCoeffs ( -2.42741 0.0673069 -0.000112796 9.67524e-08 -3.23409e-11 81696.4 30.0423 );
|
|
}
|
|
}
|
|
S-OH
|
|
{
|
|
specie
|
|
{
|
|
molWeight 49.0714;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.37246 0.00201399 -6.50854e-07 9.74413e-11 -5.52225e-15 -2285.78 3.13657 );
|
|
lowCpCoeffs ( 3.69441 0.000394328 1.10155e-05 -1.63103e-08 7.03353e-12 -1992.57 7.31636 );
|
|
}
|
|
}
|
|
C5H9O2_MeButyratC3
|
|
{
|
|
specie
|
|
{
|
|
molWeight 101.126;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 14.3581 0.0262602 -9.59896e-06 1.55935e-09 -9.36158e-14 -38052.7 -40.904 );
|
|
lowCpCoeffs ( 9.2486 0.00461927 9.22861e-05 -1.21554e-07 4.78855e-11 -34901.9 -5.86742 );
|
|
}
|
|
}
|
|
C16H9_1-Pyrenyl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 201.25;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 30.0967 0.0404689 -1.56794e-05 2.78941e-09 -1.87153e-13 43076.1 -140.664 );
|
|
lowCpCoeffs ( -12.393 0.157336 -0.000127644 4.00228e-08 0 55108.1 79.3826 );
|
|
}
|
|
}
|
|
C7H10N2O2_BiCyclo
|
|
{
|
|
specie
|
|
{
|
|
molWeight 154.17;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 19.6061 0.0373054 -1.3524e-05 2.19726e-09 -1.32144e-13 -50863.4 -79.553 );
|
|
lowCpCoeffs ( 4.34876 0.029205 0.000111749 -1.70563e-07 7.07136e-11 -44292.4 11.1803 );
|
|
}
|
|
}
|
|
NO3+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 62.0044;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 7.358 0.00267096 -1.03781e-06 1.76272e-10 -1.09244e-14 152774 -12.8565 );
|
|
lowCpCoeffs ( 3.59691 0.010235 -2.16756e-06 -5.75968e-09 3.25186e-12 153961 7.28796 );
|
|
}
|
|
}
|
|
HFCO
|
|
{
|
|
specie
|
|
{
|
|
molWeight 48.0169;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.78813 0.0047665 -1.74367e-06 2.84956e-10 -1.72051e-14 -47942.4 0.351967 );
|
|
lowCpCoeffs ( 3.74246 -0.00131011 2.46793e-05 -3.12954e-08 1.22625e-11 -47227 7.8972 );
|
|
}
|
|
}
|
|
CrO2Cl2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 154.901;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.1316 0.000337565 1.18813e-07 -4.97214e-11 4.50941e-15 -66468.9 -30.5151 );
|
|
lowCpCoeffs ( 3.7159 0.0355708 -6.10227e-05 5.06112e-08 -1.63325e-11 -64687.1 10.1534 );
|
|
}
|
|
}
|
|
FeS(b)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 87.911;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 411;
|
|
Thigh 598;
|
|
Tcommon 598;
|
|
highCpCoeffs 7 { 0 };
|
|
lowCpCoeffs ( 8.73081 0 0 0 0 -14457.7 -42.2753 );
|
|
}
|
|
}
|
|
C5H5+_1yne3ene5yl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 65.0951;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 9.82936 0.0158017 -5.59406e-06 8.94349e-10 -5.31807e-14 133826 -25.7407 );
|
|
lowCpCoeffs ( 0.678205 0.0403816 -2.76589e-05 6.66727e-09 8.09949e-13 136426 21.7856 );
|
|
}
|
|
}
|
|
Fe
|
|
{
|
|
specie
|
|
{
|
|
molWeight 55.847;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.26198 -0.00105583 5.92907e-07 -1.07189e-10 7.48064e-15 49097 3.52444 );
|
|
lowCpCoeffs ( 1.70744 0.0106339 -2.76118e-05 2.80918e-08 -1.0122e-11 49184.4 9.80811 );
|
|
}
|
|
}
|
|
C2Br
|
|
{
|
|
specie
|
|
{
|
|
molWeight 103.923;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.63149 0.0013515 -5.17926e-07 8.72036e-11 -5.37265e-15 73149.3 2.73049 );
|
|
lowCpCoeffs ( 3.72785 0.008956 -1.43282e-05 1.26602e-08 -4.46888e-12 73603.6 12.106 );
|
|
}
|
|
}
|
|
HNCO+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 43.0252;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.6547 0.00377334 -1.33506e-06 2.134e-10 -1.26889e-14 119037 -5.5435 );
|
|
lowCpCoeffs ( 2.40275 0.0162285 -2.10719e-05 1.52036e-08 -4.46922e-12 119784 10.4508 );
|
|
}
|
|
}
|
|
C6H11__1en-2M4yl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 83.1546;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.1446 0.0314688 -1.13443e-05 1.82085e-09 -1.08228e-13 10290.1 -34.3985 );
|
|
lowCpCoeffs ( 5.47596 0.0216998 6.37298e-05 -9.68447e-08 3.99209e-11 13479.1 6.78006 );
|
|
}
|
|
}
|
|
C3H4N4O6_1,3,3-
|
|
{
|
|
specie
|
|
{
|
|
molWeight 192.089;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 22.2004 0.0261449 -1.00735e-05 1.69576e-09 -1.04302e-13 2697.86 -97.2924 );
|
|
lowCpCoeffs ( -3.22896 0.0602069 4.8999e-05 -1.24715e-07 5.8601e-11 11266.9 42.2296 );
|
|
}
|
|
}
|
|
CH3SH_methyl_mer
|
|
{
|
|
specie
|
|
{
|
|
molWeight 48.107;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.5037 0.00949867 -3.34304e-06 5.31967e-10 -3.15164e-14 -4461.53 1.51156 );
|
|
lowCpCoeffs ( 3.78634 0.00377026 1.96469e-05 -2.65727e-08 1.0529e-11 -3879.22 7.09508 );
|
|
}
|
|
}
|
|
C7H8__Toluene
|
|
{
|
|
specie
|
|
{
|
|
molWeight 92.1418;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.9394 0.0266922 -9.68422e-06 1.57392e-09 -9.46672e-14 -676.971 -46.725 );
|
|
lowCpCoeffs ( 1.612 0.021118 8.5324e-05 -1.32569e-07 5.59411e-11 4096.55 20.297 );
|
|
}
|
|
}
|
|
C6H2Cl3O3_Sym_BiCy
|
|
{
|
|
specie
|
|
{
|
|
molWeight 228.44;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 26.1261 0.0131211 -4.90861e-06 8.14544e-10 -4.97157e-14 5822.59 -104.714 );
|
|
lowCpCoeffs ( -1.20972 0.106354 -0.000127675 7.40377e-08 -1.64034e-11 12429.1 31.946 );
|
|
}
|
|
}
|
|
s-1,5-C6H4__trans
|
|
{
|
|
specie
|
|
{
|
|
molWeight 76.0988;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.2329 0.0136328 -4.80872e-06 7.66969e-10 -4.55328e-14 58020.8 -36.9903 );
|
|
lowCpCoeffs ( 0.221633 0.0581529 -7.13934e-05 4.76726e-08 -1.28753e-11 60806.5 22.325 );
|
|
}
|
|
}
|
|
CHBr
|
|
{
|
|
specie
|
|
{
|
|
molWeight 92.92;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.28977 0.00141064 -4.8202e-07 7.96049e-11 -4.95429e-15 43657.8 -0.488686 );
|
|
lowCpCoeffs ( 2.94302 0.00674164 3.17779e-07 -8.95038e-09 5.24099e-12 44280.8 11.6898 );
|
|
}
|
|
}
|
|
C6H6_1,2,4,5
|
|
{
|
|
specie
|
|
{
|
|
molWeight 78.1147;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 11.8041 0.0190295 -6.86057e-06 1.10921e-09 -6.64443e-14 42329.4 -33.5946 );
|
|
lowCpCoeffs ( 3.10289 0.029018 1.88557e-05 -4.87758e-08 2.2815e-11 45359.3 14.5726 );
|
|
}
|
|
}
|
|
CH2CO__ketene
|
|
{
|
|
specie
|
|
{
|
|
molWeight 42.0376;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.75871 0.00635124 -2.25955e-06 3.62322e-10 -2.15856e-14 -8085.33 -4.9649 );
|
|
lowCpCoeffs ( 2.13241 0.0181319 -1.74093e-05 9.35336e-09 -2.01725e-12 -7148.09 13.3808 );
|
|
}
|
|
}
|
|
C3H4__cyPropene
|
|
{
|
|
specie
|
|
{
|
|
molWeight 40.0653;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.28079 0.0112394 -4.01957e-06 6.4692e-10 -3.86433e-14 31163 -11.142 );
|
|
lowCpCoeffs ( 2.24667 0.00576238 4.4208e-05 -6.62907e-08 2.81825e-11 32949.9 13.3451 );
|
|
}
|
|
}
|
|
KNO3(G)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 101.107;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 9.83343 0.0032495 -1.28264e-06 2.21147e-10 -1.38802e-14 -41564 -20.6636 );
|
|
lowCpCoeffs ( 4.62661 0.0120423 5.33589e-06 -1.98979e-08 9.90068e-12 -39912.9 7.42946 );
|
|
}
|
|
}
|
|
C8H7N__Indole
|
|
{
|
|
specie
|
|
{
|
|
molWeight 117.152;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 17.9667 0.0256336 -9.38382e-06 1.53484e-09 -9.27435e-14 10193.7 -74.6934 );
|
|
lowCpCoeffs ( -1.09397 0.0449933 5.66023e-05 -1.18906e-07 5.4063e-11 16858.2 31.2283 );
|
|
}
|
|
}
|
|
C(cr)_Diamond
|
|
{
|
|
specie
|
|
{
|
|
molWeight 12.0112;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 2500;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( -0.493156 0.00567033 -3.10559e-06 6.05253e-10 -1.61151e-14 123.881 1.48266 );
|
|
lowCpCoeffs ( -1.97308 0.0134833 -1.86052e-05 1.42204e-08 -4.46467e-12 349.787 8.21622 );
|
|
}
|
|
}
|
|
C7F16
|
|
{
|
|
specie
|
|
{
|
|
molWeight 388.052;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 49.2555 0.0159179 -6.67602e-06 1.23597e-09 -8.42046e-14 -425510 -207.968 );
|
|
lowCpCoeffs ( -3.19549 0.186066 -0.000212155 1.10476e-07 -2.16001e-11 -412647 55.9076 );
|
|
}
|
|
}
|
|
PO3
|
|
{
|
|
specie
|
|
{
|
|
molWeight 78.972;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.23656 0.00180275 -7.0511e-07 1.20266e-10 -7.47469e-15 -57056.7 -13.653 );
|
|
lowCpCoeffs ( 4.76937 0.00784394 3.34335e-06 -1.31052e-08 6.59556e-12 -55973.8 4.98978 );
|
|
}
|
|
}
|
|
PF4Cl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 142.42;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 13.7301 0.00235804 -9.31266e-07 1.59844e-10 -9.97763e-15 -168889 -40.8715 );
|
|
lowCpCoeffs ( 0.527498 0.0582353 -9.58729e-05 7.54631e-08 -2.30462e-11 -166197 22.5806 );
|
|
}
|
|
}
|
|
C5H6O_3-Me_Furan
|
|
{
|
|
specie
|
|
{
|
|
molWeight 82.103;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 11.3617 0.0196161 -7.0332e-06 1.1343e-09 -6.78682e-14 -13550.7 -36.651 );
|
|
lowCpCoeffs ( 1.72647 0.0218196 5.25955e-05 -9.06919e-08 3.95614e-11 -9862.8 18.5902 );
|
|
}
|
|
}
|
|
H2O2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 34.0147;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.57977 0.00405326 -1.29845e-06 1.98211e-10 -1.13969e-14 -18007.2 0.664971 );
|
|
lowCpCoeffs ( 4.31515 -0.000847391 1.76404e-05 -2.26763e-08 9.0895e-12 -17706.7 3.27373 );
|
|
}
|
|
}
|
|
C13H10__Phenalene
|
|
{
|
|
specie
|
|
{
|
|
molWeight 166.225;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 23.0588 0.0398725 -1.45205e-05 2.36649e-09 -1.42633e-13 11240.5 -103.109 );
|
|
lowCpCoeffs ( -1.08611 0.0582879 8.65825e-05 -1.67475e-07 7.4325e-11 20043.5 32.7081 );
|
|
}
|
|
}
|
|
W(cr)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 183.85;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 2600;
|
|
Thigh 3680;
|
|
Tcommon 2600;
|
|
highCpCoeffs ( -3982.6 4.65396 -0.0020341 3.94317e-07 -2.85756e-11 2.72577e+06 24119.3 );
|
|
lowCpCoeffs ( -97.5244 0.147975 -8.01533e-05 1.90005e-08 -1.64316e-12 53198.2 571.698 );
|
|
}
|
|
}
|
|
CS2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 76.1392;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.94905 0.00169288 -6.74334e-07 1.16461e-10 -6.37364e-15 12017.1 -6.17037 );
|
|
lowCpCoeffs ( 2.17231 0.0181263 -3.0808e-05 2.65151e-08 -8.92802e-12 12806.4 11.9827 );
|
|
}
|
|
}
|
|
H2-
|
|
{
|
|
specie
|
|
{
|
|
molWeight 2.01648;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.40073 0.00122004 -4.06414e-07 6.80315e-11 -4.17466e-15 36354.1 -2.5767 );
|
|
lowCpCoeffs ( 3.85126 -0.00327127 1.02691e-05 -9.7895e-09 3.21867e-12 36410.5 -4.05516 );
|
|
}
|
|
}
|
|
C3H3F2_*CF2CH=CH2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 77.0542;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.03 0.00970691 -3.73229e-06 6.22509e-10 -3.79753e-14 -31772.4 -34.3106 );
|
|
lowCpCoeffs ( 1.4135 0.0411613 -3.70006e-05 1.39242e-08 -9.09221e-13 -28944.9 19.9891 );
|
|
}
|
|
}
|
|
N2H3+__Hydrazine
|
|
{
|
|
specie
|
|
{
|
|
molWeight 31.0368;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.74695 0.00867643 -3.01395e-06 4.75499e-10 -2.80062e-14 114604 8.73712 );
|
|
lowCpCoeffs ( 4.09149 -0.00660706 3.57876e-05 -3.7475e-08 1.30599e-11 114837 4.71025 );
|
|
}
|
|
}
|
|
PH
|
|
{
|
|
specie
|
|
{
|
|
molWeight 31.9818;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.19038 0.00094438 -1.75369e-07 2.21554e-11 -1.74346e-15 26743.5 5.14132 );
|
|
lowCpCoeffs ( 3.55305 -0.000282507 -3.86398e-08 2.02509e-09 -1.27719e-12 26703.1 3.44583 );
|
|
}
|
|
}
|
|
C10H19__1-deceny
|
|
{
|
|
specie
|
|
{
|
|
molWeight 139.263;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 23.759 0.0513629 -1.91904e-05 3.36469e-09 -2.24371e-13 -3771.81 -88.548 );
|
|
lowCpCoeffs ( 4.94077 0.0639894 5.64164e-05 -1.18883e-07 5.24355e-11 3560.97 18.5984 );
|
|
}
|
|
}
|
|
NF
|
|
{
|
|
specie
|
|
{
|
|
molWeight 33.0051;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.06042 0.000350655 -6.95722e-08 1.45925e-11 -1.56372e-15 26671.2 2.08775 );
|
|
lowCpCoeffs ( 3.59928 -0.00218191 1.14107e-05 -1.40068e-08 5.53333e-12 26970.3 5.35574 );
|
|
}
|
|
}
|
|
C3H6O_Acetone
|
|
{
|
|
specie
|
|
{
|
|
molWeight 58.0807;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 7.29797 0.0175657 -6.31678e-06 1.02026e-09 -6.10904e-14 -29536.9 -12.7592 );
|
|
lowCpCoeffs ( 5.55639 -0.00283864 7.05723e-05 -8.78131e-08 3.40291e-11 -27832.5 2.3196 );
|
|
}
|
|
}
|
|
MoO2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 127.939;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 3000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.14495 0.000705835 -5.16987e-07 1.86467e-10 -2.22684e-14 -2292.48 6.46992 );
|
|
lowCpCoeffs ( 2.90286 0.00665546 -1.1499e-05 9.33241e-09 -2.89375e-12 -2076.72 12.2605 );
|
|
}
|
|
}
|
|
C32H13_OVALENYL
|
|
{
|
|
specie
|
|
{
|
|
molWeight 397.46;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 55.0811 0.0725845 -2.68834e-05 4.43084e-09 -2.69143e-13 53589 -282.732 );
|
|
lowCpCoeffs ( -9.14252 0.178117 4.87162e-05 -2.22438e-07 1.09692e-10 74571.6 65.7092 );
|
|
}
|
|
}
|
|
C2Cl2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 94.9283;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.20096 0.00220033 -8.27541e-07 1.37677e-10 -8.41408e-15 25410 -15.0181 );
|
|
lowCpCoeffs ( 3.50416 0.0253542 -4.77322e-05 4.38904e-08 -1.53135e-11 26287.6 6.9668 );
|
|
}
|
|
}
|
|
C6H14_2,3-DiMeth
|
|
{
|
|
specie
|
|
{
|
|
molWeight 86.1785;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.1074 0.0379781 -1.35514e-05 2.1747e-09 -1.29564e-13 -27697 -37.8071 );
|
|
lowCpCoeffs ( 5.9876 0.0261324 5.94131e-05 -8.78415e-08 3.48877e-11 -24475.3 1.08178 );
|
|
}
|
|
}
|
|
HO2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 33.0068;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.17229 0.00188118 -3.46277e-07 1.94658e-11 1.76257e-16 31.0207 2.95768 );
|
|
lowCpCoeffs ( 4.3018 -0.00474912 2.11583e-05 -2.42764e-08 9.29225e-12 264.018 3.71666 );
|
|
}
|
|
}
|
|
C5H6N2O2_Thymine
|
|
{
|
|
specie
|
|
{
|
|
molWeight 126.116;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 17.3203 0.0224968 -8.11469e-06 1.31438e-09 -7.88908e-14 -48329.1 -65.4147 );
|
|
lowCpCoeffs ( 0.828963 0.0565799 -1.14212e-05 -3.19131e-08 1.88633e-11 -43258.7 22.4136 );
|
|
}
|
|
}
|
|
C7H10_25C5H4(CH3)2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 94.1578;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 13.1018 0.030857 -1.10422e-05 1.77807e-09 -1.06255e-13 2183.6 -45.8952 );
|
|
lowCpCoeffs ( 4.03134 0.0197863 8.46427e-05 -1.25639e-07 5.17669e-11 6374.05 9.49365 );
|
|
}
|
|
}
|
|
Zr(b)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 91.22;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 1135;
|
|
Thigh 2125;
|
|
Tcommon 1135;
|
|
highCpCoeffs ( 4.06876 -0.0015849 1.02995e-06 -1.55768e-10 2.30285e-14 -691.172 -17.8593 );
|
|
lowCpCoeffs 7 { 0 };
|
|
}
|
|
}
|
|
SiF4
|
|
{
|
|
specie
|
|
{
|
|
molWeight 104.08;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 10.7428 0.00232397 -9.12895e-07 1.56145e-10 -9.72346e-15 -198003 -28.9723 );
|
|
lowCpCoeffs ( 2.32194 0.0325988 -4.37937e-05 2.84077e-08 -7.23442e-12 -196044 12.7516 );
|
|
}
|
|
}
|
|
Br2_Dibromine
|
|
{
|
|
specie
|
|
{
|
|
molWeight 159.802;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.18756 -0.00138705 9.35013e-07 -2.07121e-10 1.41849e-14 2103.48 0.0761703 );
|
|
lowCpCoeffs ( 3.34375 0.00634804 -1.36289e-05 1.31573e-08 -4.67761e-12 2531.64 9.07775 );
|
|
}
|
|
}
|
|
COF2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 66.0074;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.81632 0.00316473 -1.21776e-06 2.05582e-10 -1.26893e-14 -75537.5 -9.52865 );
|
|
lowCpCoeffs ( 2.12979 0.014102 -5.94383e-06 -5.30542e-09 3.97366e-12 -74163.7 15.1109 );
|
|
}
|
|
}
|
|
Fe(OH)2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 89.8617;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.96262 0.00420137 -1.61017e-06 2.68347e-10 -1.63497e-14 -42799.4 -18.6912 );
|
|
lowCpCoeffs ( -1.67668 0.0616931 -0.000120739 1.09814e-07 -3.72857e-11 -41129 29.6772 );
|
|
}
|
|
}
|
|
C4H4_CYbutadiene
|
|
{
|
|
specie
|
|
{
|
|
molWeight 52.0765;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.15799 0.0138047 -4.89066e-06 7.8203e-10 -4.64999e-14 48876.5 -10.2472 );
|
|
lowCpCoeffs ( 1.6645 0.0128884 3.0013e-05 -5.09682e-08 2.22099e-11 50679.9 15.9432 );
|
|
}
|
|
}
|
|
C6T6_Benzene_T-6
|
|
{
|
|
specie
|
|
{
|
|
molWeight 84.1515;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 15.6429 0.0176475 -6.65851e-06 1.11027e-09 -6.79641e-14 -3564.85 -63.3151 );
|
|
lowCpCoeffs ( -3.37934 0.0670159 -4.7436e-05 7.91213e-09 3.56153e-12 1939.36 35.9318 );
|
|
}
|
|
}
|
|
C25H52__Pentacosa
|
|
{
|
|
specie
|
|
{
|
|
molWeight 352.693;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 56.6952 0.148485 -5.71751e-05 1.02978e-08 -7.02545e-13 -96382.2 -242.867 );
|
|
lowCpCoeffs ( -5.82054 0.30331 -0.00019132 5.86149e-08 -7.18371e-12 -77346.9 86.7393 );
|
|
}
|
|
}
|
|
C3_singlet
|
|
{
|
|
specie
|
|
{
|
|
molWeight 36.0335;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.80364 0.00214514 -1.07293e-06 2.60738e-10 -2.01634e-14 97240.9 0.389374 );
|
|
lowCpCoeffs ( 5.4329 -0.0044676 1.49323e-05 -1.47955e-08 5.01427e-12 97340.1 -1.58723 );
|
|
}
|
|
}
|
|
SF2-
|
|
{
|
|
specie
|
|
{
|
|
molWeight 70.0613;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.62337 0.000396588 -1.57933e-07 2.72561e-11 -1.70783e-15 -49580.4 -5.94192 );
|
|
lowCpCoeffs ( 3.23506 0.0159107 -2.81278e-05 2.30948e-08 -7.22518e-12 -48948.1 10.0512 );
|
|
}
|
|
}
|
|
C5H4_1,3-diyne
|
|
{
|
|
specie
|
|
{
|
|
molWeight 64.0876;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 9.31656 0.0137165 -4.8721e-06 7.80514e-10 -4.64726e-14 45626 -23.1942 );
|
|
lowCpCoeffs ( 2.12483 0.0362487 -3.30844e-05 1.74659e-08 -3.85999e-12 47547.1 13.45 );
|
|
}
|
|
}
|
|
HNC
|
|
{
|
|
specie
|
|
{
|
|
molWeight 27.0258;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.22248 0.00259458 -8.5848e-07 1.30745e-10 -7.5034e-15 21715.7 -0.0779706 );
|
|
lowCpCoeffs ( 2.30187 0.0154157 -3.13262e-05 3.08816e-08 -1.11912e-11 21930.6 8.14749 );
|
|
}
|
|
}
|
|
ClO3___Chlorate
|
|
{
|
|
specie
|
|
{
|
|
molWeight 83.4512;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.33256 0.00172222 -6.77799e-07 1.16074e-10 -7.2341e-15 19364.2 -14.8899 );
|
|
lowCpCoeffs ( 1.54804 0.0255914 -3.27199e-05 1.9253e-08 -4.18676e-12 20946.5 18.7937 );
|
|
}
|
|
}
|
|
Al(cr)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 26.9815;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 933.61;
|
|
Tcommon 933.61;
|
|
highCpCoeffs 7 { 0 };
|
|
lowCpCoeffs ( 1.01033 0.0120776 -2.62099e-05 2.64295e-08 -9.01947e-12 -654.448 -5.00441 );
|
|
}
|
|
}
|
|
HNC+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 27.0253;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.93133 0.00300005 -1.05428e-06 1.71277e-10 -1.02688e-14 162143 1.82206 );
|
|
lowCpCoeffs ( 2.37075 0.0121574 -2.07847e-05 1.8521e-08 -6.22629e-12 162358 8.74748 );
|
|
}
|
|
}
|
|
Xe+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 131.299;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.59104 -0.000166258 8.73849e-08 -1.27036e-11 5.69694e-16 140727 7.04851 );
|
|
lowCpCoeffs ( 2.50008 -6.54503e-07 1.93487e-09 -2.42815e-12 1.09866e-15 140761 7.55039 );
|
|
}
|
|
}
|
|
C6H7__1,4-CyDiEne
|
|
{
|
|
specie
|
|
{
|
|
molWeight 79.1227;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 11.4417 0.0228023 -8.21084e-06 1.32793e-09 -7.96047e-14 19509.7 -38.918 );
|
|
lowCpCoeffs ( 0.989769 0.020823 7.09545e-05 -1.1472e-07 4.92347e-11 23712.1 22.0322 );
|
|
}
|
|
}
|
|
Mo(cr)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 95.94;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 2200;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.9516 0.000362504 -6.74112e-09 1.01103e-10 -3.14841e-15 -912.667 -13.5336 );
|
|
lowCpCoeffs ( 1.32884 0.00982554 -2.1093e-05 2.0951e-08 -7.60703e-12 -684.365 -6.29287 );
|
|
}
|
|
}
|
|
Al2O2+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 85.9613;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 9.34123 0.000694395 -2.76707e-07 4.77747e-11 -2.99441e-15 64042.3 -19.0332 );
|
|
lowCpCoeffs ( 3.23329 0.0288492 -5.13169e-05 4.23213e-08 -1.32832e-11 65173.9 9.75307 );
|
|
}
|
|
}
|
|
NH3+_cation
|
|
{
|
|
specie
|
|
{
|
|
molWeight 17.0301;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.58855 0.00574164 -1.86472e-06 2.7972e-10 -1.58594e-14 112470 7.60835 );
|
|
lowCpCoeffs ( 3.62055 0.000638853 8.28649e-06 -9.01954e-09 3.20297e-12 112287 2.80176 );
|
|
}
|
|
}
|
|
NH2F
|
|
{
|
|
specie
|
|
{
|
|
molWeight 35.021;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.43793 0.00563459 -1.97633e-06 3.13846e-10 -1.857e-14 -10454.5 6.04239 );
|
|
lowCpCoeffs ( 4.43076 -0.00700448 3.24294e-05 -3.55242e-08 1.30599e-11 -10252.6 3.29678 );
|
|
}
|
|
}
|
|
C2H4Cl_betaClEthyl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 63.5072;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.99819 0.0111133 -3.98844e-06 6.43305e-10 -3.84817e-14 9044.52 -4.15831 );
|
|
lowCpCoeffs ( 4.5902 0.00063769 3.84997e-05 -4.91337e-08 1.9134e-11 10137.4 6.59847 );
|
|
}
|
|
}
|
|
C5H8__Isoprene
|
|
{
|
|
specie
|
|
{
|
|
molWeight 68.1195;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 10.8223 0.0231906 -8.51009e-06 1.38853e-09 -8.36485e-14 3662.2 -33.1219 );
|
|
lowCpCoeffs ( 2.3671 0.0234183 4.35344e-05 -7.34231e-08 3.09109e-11 7159.31 16.2228 );
|
|
}
|
|
}
|
|
Bi(L)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 208.98;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 544.52;
|
|
Thigh 1900;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( -261.279 0.738661 -0.000756787 3.38925e-07 -5.61422e-11 73542.1 1357.18 );
|
|
lowCpCoeffs ( -478.177 2.50614 -0.00479556 4.01818e-06 -1.2472e-09 71358 2178.72 );
|
|
}
|
|
}
|
|
C12H4Cl4O_2367
|
|
{
|
|
specie
|
|
{
|
|
molWeight 305.977;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 33.7203 0.0259532 -9.73623e-06 1.61792e-09 -9.88244e-14 -19977.5 -146.329 );
|
|
lowCpCoeffs ( 0.835008 0.105239 -5.23533e-05 -2.50611e-08 2.27966e-11 -10438.8 26.0268 );
|
|
}
|
|
}
|
|
CO+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 28.01;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.93063 0.00156033 -6.16246e-07 1.09957e-10 -6.66119e-15 149147 7.33847 );
|
|
lowCpCoeffs ( 3.77062 -0.00201773 4.61082e-06 -2.99175e-09 6.06065e-13 149007 3.3813 );
|
|
}
|
|
}
|
|
CH2Cl2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 84.9331;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.29318 0.00598773 -2.15636e-06 3.48717e-10 -2.09014e-14 -13980.7 -5.90811 );
|
|
lowCpCoeffs ( 3.09079 0.00835269 1.25182e-05 -2.46846e-08 1.11752e-11 -12833.2 12.0564 );
|
|
}
|
|
}
|
|
C4H6,cyclo-
|
|
{
|
|
specie
|
|
{
|
|
molWeight 54.0924;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 7.84858 0.0180813 -6.53187e-06 1.05842e-09 -6.35254e-14 14615.3 -20.8981 );
|
|
lowCpCoeffs ( 2.91633 -0.00320585 0.000100264 -1.34248e-07 5.4667e-11 17473.2 12.4817 );
|
|
}
|
|
}
|
|
MgTi2O5(S)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 200.109;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 1963;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 18.2492 0.0073674 -5.43074e-07 -5.51754e-10 1.99727e-13 -305680 -90.6247 );
|
|
lowCpCoeffs ( -8.68624 0.174895 -0.000405883 4.42062e-07 -1.81165e-10 -302000 28.1478 );
|
|
}
|
|
}
|
|
C6H5Br_Bromobenz
|
|
{
|
|
specie
|
|
{
|
|
molWeight 157.008;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 13.1607 0.018704 -6.76469e-06 1.09752e-09 -6.59461e-14 6514.3 -44.4241 );
|
|
lowCpCoeffs ( 1.69851 0.0266645 4.57511e-05 -8.64969e-08 3.85143e-11 10673.5 20.0883 );
|
|
}
|
|
}
|
|
C7H7O___C6H5CH2O
|
|
{
|
|
specie
|
|
{
|
|
molWeight 107.133;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 15.3623 0.0244735 -8.88521e-06 1.44087e-09 -8.64633e-14 7836.68 -56.0473 );
|
|
lowCpCoeffs ( 1.39523 0.0346572 5.32062e-05 -1.03005e-07 4.60514e-11 12898.6 22.4851 );
|
|
}
|
|
}
|
|
C2H5Br
|
|
{
|
|
specie
|
|
{
|
|
molWeight 108.963;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.95002 0.0128709 -4.60447e-06 7.41067e-10 -4.42632e-14 -10639.4 -10.0518 );
|
|
lowCpCoeffs ( 3.629 0.00637388 3.97847e-05 -5.78493e-08 2.39751e-11 -9022.51 10.7168 );
|
|
}
|
|
}
|
|
C12H8O2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 184.196;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 26.037 0.035078 -1.2921e-05 2.12161e-09 -1.2853e-13 -18236.6 -117.407 );
|
|
lowCpCoeffs ( -1.48215 0.0751205 3.87198e-05 -1.19145e-07 5.69743e-11 -9056.11 32.9719 );
|
|
}
|
|
}
|
|
CBrF3_FREON_1301
|
|
{
|
|
specie
|
|
{
|
|
molWeight 148.907;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 10.2442 0.00282089 -1.10431e-06 1.88475e-10 -1.17194e-14 -81930.9 -24.5567 );
|
|
lowCpCoeffs ( 1.92067 0.0310919 -3.85951e-05 2.31847e-08 -5.4647e-12 -79904.4 17.1123 );
|
|
}
|
|
}
|
|
PbS2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 271.318;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 7.27167 0.000241482 -9.63891e-08 1.66603e-11 -1.04498e-15 27119.6 -7.22167 );
|
|
lowCpCoeffs ( 4.14428 0.0175559 -3.70831e-05 3.51875e-08 -1.23721e-11 27600.2 6.92972 );
|
|
}
|
|
}
|
|
Zn
|
|
{
|
|
specie
|
|
{
|
|
molWeight 65.37;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.51144 -2.75615e-05 2.32416e-08 -8.12598e-12 1.00425e-15 14934.5 5.05822 );
|
|
lowCpCoeffs ( 2.5 0 0 0 0 14938.1 5.11886 );
|
|
}
|
|
}
|
|
C19H32O2_meLinolen
|
|
{
|
|
specie
|
|
{
|
|
molWeight 292.466;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 40.1518 0.102991 -4.02352e-05 7.18863e-09 -4.82458e-13 -63590.4 -162.814 );
|
|
lowCpCoeffs ( 1.30892 0.177259 -4.26812e-05 -6.44103e-08 3.79743e-11 -50857.8 46.5857 );
|
|
}
|
|
}
|
|
C18H34_1-Octadecy
|
|
{
|
|
specie
|
|
{
|
|
molWeight 250.472;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 40.3321 0.097608 -3.71379e-05 6.61756e-09 -4.47587e-13 -35013.2 -165.922 );
|
|
lowCpCoeffs ( -11.646 0.27397 -0.000297994 2.01809e-07 -5.91668e-11 -21318 96.8119 );
|
|
}
|
|
}
|
|
C2HCl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 60.4833;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.53097 0.00341057 -1.19751e-06 1.90362e-10 -1.12737e-14 25310.5 -9.41703 );
|
|
lowCpCoeffs ( 1.11106 0.0310701 -5.67941e-05 5.06488e-08 -1.71128e-11 26238.5 15.617 );
|
|
}
|
|
}
|
|
C5H5O__1-oxy-1,3-
|
|
{
|
|
specie
|
|
{
|
|
molWeight 81.095;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 11.458 0.0174858 -6.31033e-06 1.02223e-09 -6.1353e-14 -747.306 -36.3571 );
|
|
lowCpCoeffs ( 1.02689 0.0249799 4.13379e-05 -7.92828e-08 3.55323e-11 3011.48 22.2501 );
|
|
}
|
|
}
|
|
CH3NO_Nitrosomethy
|
|
{
|
|
specie
|
|
{
|
|
molWeight 45.0412;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.04712 0.00921544 -3.29035e-06 5.2894e-10 -3.1569e-14 6237.18 -0.774396 );
|
|
lowCpCoeffs ( 5.18535 -0.00634086 4.57171e-05 -5.30422e-08 1.99502e-11 6937.72 2.18493 );
|
|
}
|
|
}
|
|
MgOH
|
|
{
|
|
specie
|
|
{
|
|
molWeight 41.3194;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.45753 0.00144427 -4.36511e-07 6.13681e-11 -3.149e-15 -17616.1 -3.55169 );
|
|
lowCpCoeffs ( 2.60105 0.0179829 -3.52516e-05 3.20308e-08 -1.08397e-11 -17249 9.10169 );
|
|
}
|
|
}
|
|
C12H24_CyDoDecane
|
|
{
|
|
specie
|
|
{
|
|
molWeight 168.325;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 22.5086 0.074328 -2.67131e-05 4.31361e-09 -2.58273e-13 -41080.4 -102.562 );
|
|
lowCpCoeffs ( 8.60296 0.0061801 0.000283599 -3.70254e-07 1.46051e-10 -32158.1 -5.23526 );
|
|
}
|
|
}
|
|
Na(g)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 22.9898;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.39859 0.000215467 -1.49078e-07 3.66822e-11 -1.66036e-15 12194.3 4.79181 );
|
|
lowCpCoeffs ( 2.5 -4.98492e-10 1.76034e-12 -2.54462e-15 1.27604e-18 12159.8 4.24403 );
|
|
}
|
|
}
|
|
H4F4
|
|
{
|
|
specie
|
|
{
|
|
molWeight 80.0255;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.3172 0.00799834 -2.7282e-06 4.24652e-10 -2.47612e-14 -147049 -31.0582 );
|
|
lowCpCoeffs ( 2.69328 0.0516263 -7.93605e-05 6.12789e-08 -1.82507e-11 -145263 14.3814 );
|
|
}
|
|
}
|
|
HO2-
|
|
{
|
|
specie
|
|
{
|
|
molWeight 33.0073;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.53529 0.00183607 -5.79595e-07 8.5174e-11 -4.75699e-15 -13251.4 0.706886 );
|
|
lowCpCoeffs ( 2.60646 0.00925166 -1.11733e-05 6.67131e-09 -1.48394e-12 -12849.9 10.0865 );
|
|
}
|
|
}
|
|
C10H6_Naphtyne
|
|
{
|
|
specie
|
|
{
|
|
molWeight 126.159;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 18.7729 0.0248769 -9.09941e-06 1.48731e-09 -8.98228e-14 51572.7 -76.8609 );
|
|
lowCpCoeffs ( -1.50617 0.0603326 1.09064e-05 -6.91994e-08 3.54144e-11 58026.2 32.4495 );
|
|
}
|
|
}
|
|
Ge2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 145.18;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.26956 -0.000711014 3.78227e-07 -6.21361e-11 3.13535e-15 55235.3 1.14678 );
|
|
lowCpCoeffs ( 1.86915 0.0207355 -4.51129e-05 4.06077e-08 -1.32217e-11 55553.6 15.6846 );
|
|
}
|
|
}
|
|
C2H4O2Cl2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 130.959;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 15.5129 0.0103537 -3.85668e-06 6.37648e-10 -3.88431e-14 -33922.5 -50.1703 );
|
|
lowCpCoeffs ( 2.43417 0.0458167 -3.41052e-05 5.34705e-09 3.1161e-12 -30300.8 17.4772 );
|
|
}
|
|
}
|
|
MgF2(L)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 62.3088;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 1536;
|
|
Thigh 6000;
|
|
Tcommon 1536;
|
|
highCpCoeffs ( 11.4018 0 0 0 0 -134054 -57.2606 );
|
|
lowCpCoeffs 7 { 0 };
|
|
}
|
|
}
|
|
CH3
|
|
{
|
|
specie
|
|
{
|
|
molWeight 15.0351;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.97812 0.00579785 -1.97558e-06 3.07298e-10 -1.79174e-14 16509.5 4.72248 );
|
|
lowCpCoeffs ( 3.65718 0.0021266 5.45839e-06 -6.6181e-09 2.46571e-12 16422.7 1.67354 );
|
|
}
|
|
}
|
|
C12H8Cl2O2_6,6-(
|
|
{
|
|
specie
|
|
{
|
|
molWeight 255.102;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 36.7109 0.0280174 -1.08622e-05 1.96815e-09 -1.34723e-13 -43267.1 -161.065 );
|
|
lowCpCoeffs ( -5.72669 0.155871 -0.000158005 7.90551e-08 -1.57801e-11 -31851.6 56.0168 );
|
|
}
|
|
}
|
|
Al(OH)2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 60.9962;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 7.67252 0.00433905 -1.4669e-06 2.27015e-10 -1.31861e-14 -63736.2 -11.2469 );
|
|
lowCpCoeffs ( 3.1217 0.0208986 -2.3495e-05 1.23528e-08 -2.11959e-12 -62732.6 11.1282 );
|
|
}
|
|
}
|
|
CF2H-CClF2_FC-124A
|
|
{
|
|
specie
|
|
{
|
|
molWeight 136.477;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 15.0263 0.00661107 -2.66603e-06 4.61258e-10 -2.88854e-14 -115030 -48.5187 );
|
|
lowCpCoeffs ( 3.34609 0.03572 -2.292e-05 -1.17017e-09 4.4277e-12 -111637 12.6128 );
|
|
}
|
|
}
|
|
C5H2Cl2O_3,4-Cyc
|
|
{
|
|
specie
|
|
{
|
|
molWeight 148.977;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 15.7844 0.0113161 -4.17819e-06 6.87367e-10 -4.17039e-14 -7744.49 -53.6348 );
|
|
lowCpCoeffs ( 1.25637 0.0524381 -4.28285e-05 1.084e-08 1.86208e-12 -3812.92 21.0644 );
|
|
}
|
|
}
|
|
Mg(cr)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 24.312;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 923;
|
|
Tcommon 200;
|
|
highCpCoeffs 7 { 0 };
|
|
lowCpCoeffs ( 1.68357 0.00765822 -1.50354e-05 1.46498e-08 -4.91736e-12 -736.132 -7.41399 );
|
|
}
|
|
}
|
|
P4O6
|
|
{
|
|
specie
|
|
{
|
|
molWeight 219.892;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 23.2308 0.00495453 -1.95673e-06 3.35858e-10 -2.09648e-14 -201421 -93.6024 );
|
|
lowCpCoeffs ( -4.44227 0.121715 -0.000199631 1.56543e-07 -4.76411e-11 -195765 39.4691 );
|
|
}
|
|
}
|
|
C4H7O_2-Butanone
|
|
{
|
|
specie
|
|
{
|
|
molWeight 71.0998;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 9.85652 0.0198873 -7.08692e-06 1.13374e-09 -6.73665e-14 -13749.2 -22.2302 );
|
|
lowCpCoeffs ( 5.97007 0.00972931 5.08158e-05 -7.16607e-08 2.88688e-11 -11673.3 2.85386 );
|
|
}
|
|
}
|
|
C4H7N___PropylCN
|
|
{
|
|
specie
|
|
{
|
|
molWeight 69.1071;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.96494 0.0216249 -7.71882e-06 1.24053e-09 -7.40237e-14 -738.291 -21.8539 );
|
|
lowCpCoeffs ( 4.02079 0.0160805 4.09261e-05 -6.26542e-08 2.56642e-11 1589.07 8.38459 );
|
|
}
|
|
}
|
|
MnS___Liquid
|
|
{
|
|
specie
|
|
{
|
|
molWeight 87.002;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 1803;
|
|
Thigh 2200;
|
|
Tcommon 1803;
|
|
highCpCoeffs ( 7.36337 0.00136969 -1.02073e-06 3.37546e-10 -4.17948e-14 -26798.1 -33.7307 );
|
|
lowCpCoeffs 7 { 0 };
|
|
}
|
|
}
|
|
C2H2F2__FC-1132A
|
|
{
|
|
specie
|
|
{
|
|
molWeight 64.035;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.9519 0.00714641 -2.79505e-06 4.77439e-10 -2.97191e-14 -43849.6 -22.9204 );
|
|
lowCpCoeffs ( 1.28302 0.0231904 -9.70095e-06 -4.40974e-09 3.38826e-12 -41362.5 18.2379 );
|
|
}
|
|
}
|
|
C5H11N_Piperidine
|
|
{
|
|
specie
|
|
{
|
|
molWeight 85.1501;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 10.4535 0.0342443 -1.22928e-05 1.98366e-09 -1.18718e-13 -8707.69 -35.8976 );
|
|
lowCpCoeffs ( 4.55967 -0.0058417 0.000158061 -2.02266e-07 7.97574e-11 -4468.13 7.83912 );
|
|
}
|
|
}
|
|
C13H9N__ACRIDINE
|
|
{
|
|
specie
|
|
{
|
|
molWeight 179.223;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 25.8635 0.0378898 -1.39285e-05 2.28395e-09 -1.38236e-13 20460.1 -117.88 );
|
|
lowCpCoeffs ( -0.848162 0.0617087 8.87125e-05 -1.77384e-07 7.97812e-11 29981.6 31.4076 );
|
|
}
|
|
}
|
|
C4H7__trans-1-Bu
|
|
{
|
|
specie
|
|
{
|
|
molWeight 55.1004;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.16689 0.019568 -6.95695e-06 1.11504e-09 -6.64079e-14 23753.7 -17.7041 );
|
|
lowCpCoeffs ( 3.77146 0.0146544 3.70081e-05 -5.72714e-08 2.36641e-11 25801.5 9.11907 );
|
|
}
|
|
}
|
|
C4H
|
|
{
|
|
specie
|
|
{
|
|
molWeight 49.0526;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 7.718 0.00512537 -1.83738e-06 2.96241e-10 -1.77195e-14 91068.2 -15.1617 );
|
|
lowCpCoeffs ( 0.938093 0.038592 -6.86755e-05 6.13265e-08 -2.08966e-11 92312.3 16.501 );
|
|
}
|
|
}
|
|
Cl2O
|
|
{
|
|
specie
|
|
{
|
|
molWeight 86.9054;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.41518 0.000604057 -2.37739e-07 4.07147e-11 -2.53755e-15 14857.6 -3.52623 );
|
|
lowCpCoeffs ( 3.70993 0.0115803 -1.8323e-05 1.41404e-08 -4.28796e-12 15435.3 9.59881 );
|
|
}
|
|
}
|
|
CH3CBr3_111
|
|
{
|
|
specie
|
|
{
|
|
molWeight 266.749;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.4134 0.00814477 -2.94328e-06 4.77278e-10 -2.86682e-14 -4241.45 -31.6563 );
|
|
lowCpCoeffs ( 4.62367 0.0319899 -3.12395e-05 1.61131e-08 -3.42366e-12 -2172.18 8.09298 );
|
|
}
|
|
}
|
|
n-C4H10O2_n-perox
|
|
{
|
|
specie
|
|
{
|
|
molWeight 90.1231;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.8219 0.0286824 -1.02148e-05 1.63573e-09 -9.73134e-14 -30779.8 -39.4378 );
|
|
lowCpCoeffs ( 8.00937 -0.000266942 0.000116727 -1.51712e-07 6.00701e-11 -27503.2 -4.64153 );
|
|
}
|
|
}
|
|
O3-
|
|
{
|
|
specie
|
|
{
|
|
molWeight 47.9987;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.95188 0.00108039 -4.24643e-07 7.26564e-11 -4.52533e-15 -10108 -4.96701 );
|
|
lowCpCoeffs ( 1.90241 0.0156105 -2.09606e-05 1.3589e-08 -3.46559e-12 -9165.17 15.1034 );
|
|
}
|
|
}
|
|
C5H7_Cy-1en-3-yl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 67.1115;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 9.74014 0.021508 -7.71169e-06 1.24353e-09 -7.43887e-14 15635.5 -28.9665 );
|
|
lowCpCoeffs ( 2.31203 0.00701024 9.35726e-05 -1.33745e-07 5.55554e-11 19172.2 17.2893 );
|
|
}
|
|
}
|
|
C7H10_cyC5H9-CCH
|
|
{
|
|
specie
|
|
{
|
|
molWeight 94.1578;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.2834 0.0322013 -1.14592e-05 1.83811e-09 -1.09541e-13 13428.6 -40.6083 );
|
|
lowCpCoeffs ( 2.86273 0.0238049 8.02798e-05 -1.24667e-07 5.24739e-11 17577.4 16.0168 );
|
|
}
|
|
}
|
|
ClO2___OClO___HF
|
|
{
|
|
specie
|
|
{
|
|
molWeight 67.4518;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.85462 0.00117335 -4.59512e-07 7.84402e-11 -4.87789e-15 9891.36 -3.23627 );
|
|
lowCpCoeffs ( 3.26912 0.00637174 4.93743e-07 -7.70111e-09 4.20853e-12 10662.1 10.4885 );
|
|
}
|
|
}
|
|
NCCH2OOH
|
|
{
|
|
specie
|
|
{
|
|
molWeight 73.0517;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 9.50764 0.0100846 -3.63252e-06 5.84207e-10 -3.48052e-14 -203.334 -19.298 );
|
|
lowCpCoeffs ( 4.71323 0.0182104 1.77782e-06 -1.68345e-08 8.6421e-12 1343.99 6.62658 );
|
|
}
|
|
}
|
|
HCNO_Fulminic_Acid
|
|
{
|
|
specie
|
|
{
|
|
molWeight 43.0252;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.9198 0.00400115 -1.42063e-06 2.2757e-10 -1.35505e-14 18038.6 -8.26935 );
|
|
lowCpCoeffs ( 0.607949 0.0282182 -4.60452e-05 3.82559e-08 -1.23227e-11 19071.4 16.9199 );
|
|
}
|
|
}
|
|
C8_linear_singlet
|
|
{
|
|
specie
|
|
{
|
|
molWeight 96.0892;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 13.9893 0.00824259 -3.12207e-06 5.21752e-10 -3.1983e-14 170264 -43.8515 );
|
|
lowCpCoeffs ( 3.26682 0.0498454 -7.42017e-05 6.09724e-08 -2.02833e-11 172815 9.06621 );
|
|
}
|
|
}
|
|
NH2OH+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 33.0295;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.19414 0.00708846 -2.37593e-06 3.65403e-10 -2.11264e-14 101060 2.86641 );
|
|
lowCpCoeffs ( 3.72525 0.00417577 9.81141e-06 -1.38336e-08 5.37208e-12 101394 6.30909 );
|
|
}
|
|
}
|
|
MgCl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 59.765;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.45233 4.47541e-05 3.13975e-08 -2.21484e-12 -4.14935e-16 -7954.49 2.58345 );
|
|
lowCpCoeffs ( 2.8622 0.00812085 -1.63301e-05 1.50603e-08 -5.18732e-12 -7676.8 9.94825 );
|
|
}
|
|
}
|
|
BO
|
|
{
|
|
specie
|
|
{
|
|
molWeight 26.8104;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.19931 0.0012888 -4.86001e-07 8.21491e-11 -4.8733e-15 1410.41 5.80803 );
|
|
lowCpCoeffs ( 3.67485 -0.00163334 4.4801e-06 -2.97436e-09 5.32127e-13 1397.3 3.84676 );
|
|
}
|
|
}
|
|
CH2O__CH**-OH
|
|
{
|
|
specie
|
|
{
|
|
molWeight 30.0265;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.65237 0.00555807 -1.97617e-06 3.16823e-10 -1.88748e-14 13553.6 4.22141 );
|
|
lowCpCoeffs ( 4.65733 -0.00953742 4.04679e-05 -4.45318e-08 1.64762e-11 13861.5 1.97861 );
|
|
}
|
|
}
|
|
Sn-
|
|
{
|
|
specie
|
|
{
|
|
molWeight 118.691;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.38411 -0.000880815 3.38545e-07 -5.70545e-11 3.51582e-15 20635.2 2.78085 );
|
|
lowCpCoeffs ( 0.736519 0.0142321 -2.99455e-05 2.60259e-08 -8.26071e-12 20953.1 14.4706 );
|
|
}
|
|
}
|
|
C5Cl6___CycloPer
|
|
{
|
|
specie
|
|
{
|
|
molWeight 272.774;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 23.9159 0.00718195 -2.79593e-06 4.75524e-10 -2.9499e-14 -9976.79 -86.842 );
|
|
lowCpCoeffs ( 4.61555 0.0767597 -0.000104982 7.28115e-08 -2.04564e-11 -5401.75 8.99055 );
|
|
}
|
|
}
|
|
C2+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 24.0218;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 1.47439 0.00390861 -1.15363e-06 1.28523e-10 -4.37155e-15 237828 15.6572 );
|
|
lowCpCoeffs ( 3.74443 -0.00275064 9.41709e-06 -9.54484e-09 3.48748e-12 237084 3.70173 );
|
|
}
|
|
}
|
|
MgSiO3(L)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 100.396;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 1800;
|
|
Thigh 6000;
|
|
Tcommon 1800;
|
|
highCpCoeffs ( 17.6126 0 0 0 0 -188017 -95.1141 );
|
|
lowCpCoeffs 7 { 0 };
|
|
}
|
|
}
|
|
C3H7OO_PropylPer
|
|
{
|
|
specie
|
|
{
|
|
molWeight 75.088;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 9.2449 0.0214801 -7.69336e-06 1.23945e-09 -7.40912e-14 -9811.88 -22.0401 );
|
|
lowCpCoeffs ( 6.99489 -0.00750355 0.000101251 -1.25013e-07 4.84676e-11 -7530.04 -2.0374 );
|
|
}
|
|
}
|
|
C6H5-_phenyl_ani
|
|
{
|
|
specie
|
|
{
|
|
molWeight 77.1073;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 10.8634 0.0183497 -6.6982e-06 1.09316e-09 -6.59443e-14 21815 -36.013 );
|
|
lowCpCoeffs ( -3.80165 0.0538074 -2.96127e-05 -2.88028e-09 6.02948e-12 26163.7 41.0901 );
|
|
}
|
|
}
|
|
CH3N2__C*H2-N=NH
|
|
{
|
|
specie
|
|
{
|
|
molWeight 43.0485;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.47077 0.00911108 -3.16313e-06 4.99187e-10 -2.95474e-14 37466.7 -3.19073 );
|
|
lowCpCoeffs ( 3.57029 -0.0014809 4.52662e-05 -5.91772e-08 2.37099e-11 38691.3 10.2718 );
|
|
}
|
|
}
|
|
SiO2(L)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 60.0848;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 1996;
|
|
Thigh 6000;
|
|
Tcommon 1996;
|
|
highCpCoeffs ( 10.0427 0 0 0 0 -113998 -55.5336 );
|
|
lowCpCoeffs 7 { 0 };
|
|
}
|
|
}
|
|
SF5
|
|
{
|
|
specie
|
|
{
|
|
molWeight 127.056;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 14.3393 0.0017417 -6.91772e-07 1.19179e-10 -7.45837e-15 -113329 -44.4484 );
|
|
lowCpCoeffs ( -1.06748 0.0781664 -0.000150828 1.34509e-07 -4.52796e-11 -110633 27.1422 );
|
|
}
|
|
}
|
|
NH3_Anharmonic
|
|
{
|
|
specie
|
|
{
|
|
molWeight 17.0306;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.7171 0.00556856 -1.76886e-06 2.67417e-10 -1.52731e-14 -6584.52 6.0929 );
|
|
lowCpCoeffs ( 4.30178 -0.00477127 2.19342e-05 -2.29856e-08 8.28992e-12 -6748.06 -0.690644 );
|
|
}
|
|
}
|
|
C6H12O2_Butyric
|
|
{
|
|
specie
|
|
{
|
|
molWeight 116.161;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 14.8731 0.0376657 -1.39007e-05 2.27853e-09 -1.37692e-13 -63631.4 -46.3993 );
|
|
lowCpCoeffs ( 10.4671 -0.0098719 0.000164413 -2.0128e-07 7.70513e-11 -59442.5 -9.0276 );
|
|
}
|
|
}
|
|
PH+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 31.9818;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 300;
|
|
Thigh 4000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.92149 0.001564 -6.61683e-07 1.32007e-10 -1.01455e-14 146479 6.7762 );
|
|
lowCpCoeffs ( 4.69912 -0.0050137 8.44515e-06 -5.45911e-09 1.2742e-12 146096 -1.93635 );
|
|
}
|
|
}
|
|
C2HCl4_CHCl2-CCl2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 166.842;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 14.5236 0.00429973 -1.77166e-06 3.07647e-10 -1.92516e-14 -2575.11 -40.4512 );
|
|
lowCpCoeffs ( 3.15152 0.0441094 -5.75511e-05 3.73698e-08 -9.73948e-12 163.837 16.2607 );
|
|
}
|
|
}
|
|
C5H5O_Cyclo-2,4-
|
|
{
|
|
specie
|
|
{
|
|
molWeight 81.095;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.0245 0.0169699 -6.12275e-06 9.91738e-10 -5.95206e-14 20512.2 -39.537 );
|
|
lowCpCoeffs ( 0.774872 0.0253185 4.65761e-05 -8.92691e-08 4.04035e-11 24493.8 23.4456 );
|
|
}
|
|
}
|
|
BF
|
|
{
|
|
specie
|
|
{
|
|
molWeight 29.8094;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.6335 0.000908616 -3.32424e-07 5.40752e-11 -2.9178e-15 -14070.8 2.95283 );
|
|
lowCpCoeffs ( 3.77735 -0.00327994 1.19679e-05 -1.28569e-08 4.65243e-12 -13923.8 3.13736 );
|
|
}
|
|
}
|
|
C15H30O2_n-acid
|
|
{
|
|
specie
|
|
{
|
|
molWeight 242.405;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 33.8323 0.091538 -3.30674e-05 5.35374e-09 -3.21024e-13 -102921 -145.424 );
|
|
lowCpCoeffs ( 18.1515 -0.00171338 0.000370732 -4.77563e-07 1.87729e-10 -92095.1 -31.7937 );
|
|
}
|
|
}
|
|
C7H13_1-Heptyl-4en
|
|
{
|
|
specie
|
|
{
|
|
molWeight 97.1817;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 19.6157 0.0279894 -8.63561e-06 1.37238e-09 -8.74339e-14 6680.58 -72.2431 );
|
|
lowCpCoeffs ( -7.36602 0.118305 -0.000140059 9.69767e-08 -2.75226e-11 13898.3 64.4453 );
|
|
}
|
|
}
|
|
C22H44O2_Ethyl_E
|
|
{
|
|
specie
|
|
{
|
|
molWeight 340.595;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 50.6282 0.132687 -5.17999e-05 9.25126e-09 -6.20765e-13 -124137 -222.221 );
|
|
lowCpCoeffs ( -0.612379 0.233771 -6.45051e-05 -7.46946e-08 4.59884e-11 -107539 53.1852 );
|
|
}
|
|
}
|
|
NOH-
|
|
{
|
|
specie
|
|
{
|
|
molWeight 31.0146;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.43284 0.00219879 -7.69302e-07 1.21911e-10 -7.20117e-15 25454.8 1.70384 );
|
|
lowCpCoeffs ( 3.00153 0.00765554 -9.13241e-06 6.10608e-09 -1.6537e-12 25778.7 8.73271 );
|
|
}
|
|
}
|
|
BiCl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 244.433;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.35282 0.000265992 -1.22011e-07 2.37566e-11 -8.95347e-16 7625.03 5.8741 );
|
|
lowCpCoeffs ( 3.41219 0.00600621 -1.29936e-05 1.25783e-08 -4.48348e-12 7743.94 10.0031 );
|
|
}
|
|
}
|
|
N2O3+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 76.0111;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 9.25816 0.00358626 -1.34956e-06 2.24573e-10 -1.37256e-14 121554 -15.701 );
|
|
lowCpCoeffs ( 7.20943 0.00816248 -4.97074e-06 1.63967e-09 -3.35148e-13 122232 -4.70592 );
|
|
}
|
|
}
|
|
Ge(L)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 72.59;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 1211.4;
|
|
Thigh 6000;
|
|
Tcommon 1211.4;
|
|
highCpCoeffs ( 3.3195 0 0 0 0 3278.99 -11.8614 );
|
|
lowCpCoeffs 7 { 0 };
|
|
}
|
|
}
|
|
C4H10FO2P_SARIN
|
|
{
|
|
specie
|
|
{
|
|
molWeight 159.094;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 18.5786 0.0301373 -1.09201e-05 1.77293e-09 -1.06548e-13 -124292 -68.5795 );
|
|
lowCpCoeffs ( 5.24489 0.0458688 2.18055e-05 -6.18575e-08 2.84005e-11 -119527 5.5156 );
|
|
}
|
|
}
|
|
s-1-C10H7CH=CH2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 154.214;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 23.6421 0.0360545 -1.31138e-05 2.1312e-09 -1.28115e-13 14662.5 -102.784 );
|
|
lowCpCoeffs ( -1.19669 0.0706116 4.27864e-05 -1.2199e-07 5.83744e-11 22919.2 33.0371 );
|
|
}
|
|
}
|
|
BF2-
|
|
{
|
|
specie
|
|
{
|
|
molWeight 48.8083;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.50094 0.00152462 -5.94463e-07 1.0119e-10 -6.28032e-15 -90205.4 -3.40425 );
|
|
lowCpCoeffs ( 2.85128 0.00730572 -2.39694e-06 -3.42054e-09 2.18648e-12 -89403.6 10.6448 );
|
|
}
|
|
}
|
|
C4H9O_s-butoxy_r
|
|
{
|
|
specie
|
|
{
|
|
molWeight 73.1157;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.3515 0.024007 -8.828e-06 1.44359e-09 -8.71115e-14 -14646.6 -41.3525 );
|
|
lowCpCoeffs ( 4.43663 0.010029 8.56583e-05 -1.18678e-07 4.74412e-11 -10713.4 8.21507 );
|
|
}
|
|
}
|
|
C2DH_Acetylene-D
|
|
{
|
|
specie
|
|
{
|
|
molWeight 27.0444;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.10652 0.00465613 -1.63865e-06 2.60797e-10 -1.54544e-14 25268.1 -5.37628 );
|
|
lowCpCoeffs ( 0.767914 0.0268332 -4.6719e-05 4.16149e-08 -1.41277e-11 26028.9 14.7002 );
|
|
}
|
|
}
|
|
HgBr2(L)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 360.392;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 514;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.2785 0 0 0 0 -23203.5 -46.8462 );
|
|
lowCpCoeffs ( 12.2785 0 0 0 0 -23203.5 -46.8462 );
|
|
}
|
|
}
|
|
Cr2O3(Ip)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 151.99;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 335;
|
|
Thigh 2705;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 592.891 -1.34142 0.00110251 -3.86966e-07 4.94609e-11 -333643 -3144.26 );
|
|
lowCpCoeffs ( 741.352 -5.05018 0.0120094 -1.19901e-05 4.30605e-09 -213878 -3110.9 );
|
|
}
|
|
}
|
|
C2D6_Ethane-D6
|
|
{
|
|
specie
|
|
{
|
|
molWeight 36.1069;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 7.82156 0.0137254 -5.1182e-06 8.38922e-10 -5.06203e-14 -17229.7 -22.282 );
|
|
lowCpCoeffs ( 1.61777 0.0110672 4.24711e-05 -6.47252e-08 2.67862e-11 -14536.3 14.5813 );
|
|
}
|
|
}
|
|
CH3O-_anion
|
|
{
|
|
specie
|
|
{
|
|
molWeight 31.035;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.40145 0.00912623 -3.41679e-06 5.6662e-10 -3.45478e-14 -18296.6 3.50229 );
|
|
lowCpCoeffs ( 5.03951 -0.014582 5.66786e-05 -5.63274e-08 1.88342e-11 -17662.6 0.0949531 );
|
|
}
|
|
}
|
|
MgS
|
|
{
|
|
specie
|
|
{
|
|
molWeight 56.376;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( -1.40105 0.010463 -4.80467e-06 8.80804e-10 -5.65045e-14 15253.3 33.8403 );
|
|
lowCpCoeffs ( 2.66492 0.00896235 -1.82995e-05 1.69111e-08 -5.15729e-12 13448.5 9.93335 );
|
|
}
|
|
}
|
|
MoO2__Solid
|
|
{
|
|
specie
|
|
{
|
|
molWeight 127.939;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 2000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.57003 0.00701737 -4.1165e-06 1.48282e-09 -1.41614e-13 -72817.8 -28.2261 );
|
|
lowCpCoeffs ( 0.656227 0.033649 -5.76642e-05 4.88255e-08 -1.56545e-11 -72103.7 -6.04322 );
|
|
}
|
|
}
|
|
N-C9H19_________N-
|
|
{
|
|
specie
|
|
{
|
|
molWeight 127.252;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 300;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 19.1953 0.0554392 -2.14366e-05 3.78851e-09 -2.5003e-13 -14373.7 -66.0695 );
|
|
lowCpCoeffs ( 2.7452 0.0764301 1.26248e-05 -6.38822e-08 2.88188e-11 -8668.91 24.8318 );
|
|
}
|
|
}
|
|
C10H9_1-methyl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 129.183;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 19.0084 0.0318459 -1.15127e-05 1.86707e-09 -1.12145e-13 22325 -78.0333 );
|
|
lowCpCoeffs ( 0.407036 0.0480531 6.1361e-05 -1.25042e-07 5.63176e-11 28972.9 26.012 );
|
|
}
|
|
}
|
|
C23H47_1-Tricosane
|
|
{
|
|
specie
|
|
{
|
|
molWeight 323.631;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 61.1579 0.119041 -4.38887e-05 7.63534e-09 -5.06405e-13 -67799.8 -268.694 );
|
|
lowCpCoeffs ( 6.53181 0.190778 5.64587e-05 -2.12495e-07 1.02165e-10 -47993.4 34.4469 );
|
|
}
|
|
}
|
|
C4H6_1-butyne
|
|
{
|
|
specie
|
|
{
|
|
molWeight 54.0924;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 7.81179 0.0179734 -6.61044e-06 1.05501e-09 -6.19297e-14 16177 -15.9658 );
|
|
lowCpCoeffs ( 2.42819 0.0249822 6.27371e-06 -2.61748e-08 1.26585e-11 18024.9 13.6684 );
|
|
}
|
|
}
|
|
F-
|
|
{
|
|
specie
|
|
{
|
|
molWeight 18.9989;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.5 0 0 0 0 -31451.9 3.26488 );
|
|
lowCpCoeffs ( 2.5 0 0 0 0 -31451.9 3.26488 );
|
|
}
|
|
}
|
|
BF2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 48.8078;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.3965 0.00161733 -6.27471e-07 1.06465e-10 -6.5932e-15 -61972.2 -2.00245 );
|
|
lowCpCoeffs ( 3.76866 0.00206633 8.29846e-06 -1.31415e-08 5.49423e-12 -61332.3 7.37107 );
|
|
}
|
|
}
|
|
NH4Cl(II)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 53.4916;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 457.7;
|
|
Tcommon 298.15;
|
|
highCpCoeffs 7 { 0 };
|
|
lowCpCoeffs ( 6.82094 -0.00642535 9.38557e-05 -1.07607e-07 0 -40196.5 -28.7592 );
|
|
}
|
|
}
|
|
C5H3N_CyanoVinyl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 77.0864;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 11.2215 0.0121359 -4.33358e-06 6.96956e-10 -4.16178e-14 46324.8 -30.557 );
|
|
lowCpCoeffs ( 1.68494 0.0434234 -4.45293e-05 2.43655e-08 -5.26531e-12 48743.8 17.5459 );
|
|
}
|
|
}
|
|
C7H5NO_Benzoxazole
|
|
{
|
|
specie
|
|
{
|
|
molWeight 119.124;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 15.6707 0.0221809 -8.10531e-06 1.3242e-09 -7.99544e-14 -4052.95 -60.9944 );
|
|
lowCpCoeffs ( -0.249438 0.0355983 5.64045e-05 -1.10126e-07 4.93628e-11 1629.13 28.0949 );
|
|
}
|
|
}
|
|
Cu3Cl3
|
|
{
|
|
specie
|
|
{
|
|
molWeight 296.979;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 15.6026 0.000421604 -1.68585e-07 2.91734e-11 -1.83132e-15 -35854.4 -37.5774 );
|
|
lowCpCoeffs ( 9.17223 0.0377321 -8.25459e-05 8.01579e-08 -2.86334e-11 -34926 -8.83154 );
|
|
}
|
|
}
|
|
C7H7_QuadriShould
|
|
{
|
|
specie
|
|
{
|
|
molWeight 91.1338;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 13.7943 0.0234051 -8.43791e-06 1.36605e-09 -8.19587e-14 63818.8 -53.6181 );
|
|
lowCpCoeffs ( -0.944868 0.0205615 0.000110443 -1.77156e-07 7.71416e-11 69538.5 31.8008 );
|
|
}
|
|
}
|
|
CH3CH-__anion
|
|
{
|
|
specie
|
|
{
|
|
molWeight 28.0547;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.62264 0.0103556 -3.77239e-06 6.14453e-10 -3.7004e-14 35609.3 -2.04789 );
|
|
lowCpCoeffs ( 2.50726 0.00966187 8.40585e-06 -1.40911e-08 5.29943e-12 36621.2 10.737 );
|
|
}
|
|
}
|
|
Fe(OH)2(S)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 89.8617;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 1500;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 1.39523 0.0334248 -2.98872e-05 1.14558e-08 -1.55126e-12 -70256.4 -5.03438 );
|
|
lowCpCoeffs ( 10.0565 0.00469162 3.47323e-06 -3.37016e-09 -1.37687e-14 -72272.2 -48.2537 );
|
|
}
|
|
}
|
|
HOCN_Cyanic_Acid
|
|
{
|
|
specie
|
|
{
|
|
molWeight 43.0252;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.28768 0.00401747 -1.40407e-06 2.22563e-10 -1.31562e-14 -3774.1 -2.64471 );
|
|
lowCpCoeffs ( 2.88944 0.0116487 -1.08005e-05 5.44139e-09 -1.06857e-12 -3152.97 9.51296 );
|
|
}
|
|
}
|
|
C5H10O_T.H.PYRAN
|
|
{
|
|
specie
|
|
{
|
|
molWeight 86.1349;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 10.2913 0.0319377 -1.15142e-05 1.86329e-09 -1.11732e-13 -33140.2 -35.3318 );
|
|
lowCpCoeffs ( 3.76713 -0.000900844 0.000138346 -1.79983e-07 7.12379e-11 -28958.3 10.4224 );
|
|
}
|
|
}
|
|
GeH4
|
|
{
|
|
specie
|
|
{
|
|
molWeight 76.6219;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.41474 0.00724155 -2.71818e-06 4.51535e-10 -2.75635e-14 8463.57 -7.83419 );
|
|
lowCpCoeffs ( 2.54993 0.00713886 1.43758e-05 -2.33593e-08 9.65676e-12 9697.56 9.02679 );
|
|
}
|
|
}
|
|
NH3__RRHO
|
|
{
|
|
specie
|
|
{
|
|
molWeight 17.0306;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.09567 0.0061475 -2.00329e-06 3.01335e-10 -1.71227e-14 -6309.45 9.59574 );
|
|
lowCpCoeffs ( 4.46075 -0.00568782 2.11411e-05 -2.0285e-08 6.89501e-12 -6707.54 -1.34451 );
|
|
}
|
|
}
|
|
CH4N2O_Urea
|
|
{
|
|
specie
|
|
{
|
|
molWeight 60.0558;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 10.3465 0.00895411 -3.10368e-06 4.89573e-10 -2.88532e-14 -32012.8 -26.9745 );
|
|
lowCpCoeffs ( -0.210708 0.0436949 -4.60608e-05 2.36548e-08 -4.42051e-12 -29419.9 26.0662 );
|
|
}
|
|
}
|
|
C2H-
|
|
{
|
|
specie
|
|
{
|
|
molWeight 25.0308;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.3188 0.00268207 -9.31912e-07 1.47097e-10 -8.57837e-15 31598.2 -0.901036 );
|
|
lowCpCoeffs ( 2.863 0.00978832 -1.48396e-05 1.2504e-08 -4.10824e-12 31867.4 5.90883 );
|
|
}
|
|
}
|
|
Zr-
|
|
{
|
|
specie
|
|
{
|
|
molWeight 91.2205;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.24532 -0.000760611 2.9685e-07 -5.05394e-11 3.13651e-15 65675.8 4.30675 );
|
|
lowCpCoeffs ( 3.2631 0.00327292 -1.2492e-05 1.3646e-08 -4.95579e-12 65471.9 3.21912 );
|
|
}
|
|
}
|
|
N-UNDECANE
|
|
{
|
|
specie
|
|
{
|
|
molWeight 156.314;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 34.1071 0.0507866 -1.73797e-05 2.76048e-09 -1.64249e-13 -48848.6 -147.547 );
|
|
lowCpCoeffs ( 16.7589 -0.0135772 0.000308217 -4.00563e-07 1.59274e-10 -38907.7 -31.5629 );
|
|
}
|
|
}
|
|
O3+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 47.9977;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.79867 0.00123353 -4.83692e-07 8.26331e-11 -5.14128e-15 161086 -5.15613 );
|
|
lowCpCoeffs ( 2.09882 0.0131588 -1.49793e-05 7.85111e-09 -1.50346e-12 162012 13.5091 );
|
|
}
|
|
}
|
|
CH3NC_Methyl-Iso
|
|
{
|
|
specie
|
|
{
|
|
molWeight 41.0529;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.9732 0.00982586 -3.53151e-06 5.70121e-10 -3.41242e-14 17411.6 -2.23784 );
|
|
lowCpCoeffs ( 5.06586 -0.00294993 3.52827e-05 -4.04524e-08 1.48573e-11 18046.1 0.442065 );
|
|
}
|
|
}
|
|
C4H4N2_PYRAZINE
|
|
{
|
|
specie
|
|
{
|
|
molWeight 80.0899;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 10.5513 0.0160367 -5.88637e-06 9.64222e-10 -5.83155e-14 18418.3 -33.9434 );
|
|
lowCpCoeffs ( 1.31169 0.0141004 6.44438e-05 -1.01639e-07 4.33905e-11 22143.8 19.9919 );
|
|
}
|
|
}
|
|
PO2-
|
|
{
|
|
specie
|
|
{
|
|
molWeight 62.9731;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.57846 0.00152315 -6.74457e-07 1.41386e-10 -1.01205e-14 -73836.5 -2.75189 );
|
|
lowCpCoeffs ( 2.9555 0.00778955 -4.30713e-06 -1.23747e-09 1.35797e-12 -73064.8 11.0344 );
|
|
}
|
|
}
|
|
C2H6S__(C2H5SH)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 62.1341;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.32502 0.015407 -5.45709e-06 8.72282e-10 -5.18467e-14 -8265.62 -5.41769 );
|
|
lowCpCoeffs ( 5.4053 0.00242611 4.12378e-05 -5.18769e-08 1.99031e-11 -7224.09 3.16335 );
|
|
}
|
|
}
|
|
C7H16O_n-heptanol
|
|
{
|
|
specie
|
|
{
|
|
molWeight 116.205;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 18.4382 0.0468571 -1.68015e-05 2.70592e-09 -1.61641e-13 -50494.3 -64.7364 );
|
|
lowCpCoeffs ( 13.0899 -0.00917359 0.000200518 -2.51396e-07 9.79997e-11 -45677.2 -20.26 );
|
|
}
|
|
}
|
|
C7H10_23C5H4(CH3)2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 94.1578;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.6019 0.0314138 -1.12682e-05 1.81734e-09 -1.08722e-13 719.837 -42.9613 );
|
|
lowCpCoeffs ( 5.2172 0.00749754 0.000115982 -1.57714e-07 6.34732e-11 4812.35 5.62322 );
|
|
}
|
|
}
|
|
NCCH2OO_Radical
|
|
{
|
|
specie
|
|
{
|
|
molWeight 72.0437;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 9.10482 0.0089597 -3.25671e-06 5.29969e-10 -3.19049e-14 17739.8 -18.1426 );
|
|
lowCpCoeffs ( 4.25159 0.0146469 9.70672e-06 -2.46314e-08 1.13321e-11 19445.8 8.75951 );
|
|
}
|
|
}
|
|
HO3____HOOO
|
|
{
|
|
specie
|
|
{
|
|
molWeight 49.0062;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.37184 0.00302682 -1.04429e-06 1.64231e-10 -9.65926e-15 4782.59 -5.67981 );
|
|
lowCpCoeffs ( 3.59502 0.010825 -7.97195e-06 1.40602e-09 6.54828e-13 5526.19 8.58737 );
|
|
}
|
|
}
|
|
Fe(c)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 55.847;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 1184;
|
|
Thigh 1665;
|
|
Tcommon 1184;
|
|
highCpCoeffs ( 60.9848 -0.160872 0.000168294 -7.74215e-08 1.33031e-11 -16526.1 -313.575 );
|
|
lowCpCoeffs 7 { 0 };
|
|
}
|
|
}
|
|
C2H5O2_HOCH2C*HO
|
|
{
|
|
specie
|
|
{
|
|
molWeight 61.061;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.59824 0.012501 -4.31594e-06 6.75073e-10 -3.94925e-14 -28654.9 -13.4388 );
|
|
lowCpCoeffs ( 5.17815 0.0037429 5.05539e-05 -7.19063e-08 2.98502e-11 -26978.3 8.23089 );
|
|
}
|
|
}
|
|
CH5N__CH3NH2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 31.0577;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.7861 0.012697 -4.46779e-06 7.11022e-10 -4.21333e-14 -4381 1.86269 );
|
|
lowCpCoeffs ( 4.65718 -0.00737953 5.45297e-05 -6.24994e-08 2.33762e-11 -3760.73 1.63875 );
|
|
}
|
|
}
|
|
C7H8O__C6H5CH2OH
|
|
{
|
|
specie
|
|
{
|
|
molWeight 108.141;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 15.1623 0.026937 -9.8029e-06 1.59282e-09 -9.57108e-14 -18822.6 -54.7427 );
|
|
lowCpCoeffs ( 2.8574 0.0238771 8.40508e-05 -1.33986e-07 5.69939e-11 -13795.6 17.3102 );
|
|
}
|
|
}
|
|
C4H5O__EtKetene-2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 69.0838;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 9.18018 0.0157954 -5.67758e-06 9.12744e-10 -5.43933e-14 4088.6 -16.9925 );
|
|
lowCpCoeffs ( 6.24332 0.00970875 3.13676e-05 -4.51741e-08 1.80108e-11 5629.07 1.70466 );
|
|
}
|
|
}
|
|
CH3ONO2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 77.04;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 9.77845 0.011007 -4.25929e-06 7.18198e-10 -4.42042e-14 -18880.4 -23.9163 );
|
|
lowCpCoeffs ( 3.91364 0.0152138 1.73479e-05 -3.37074e-08 1.44322e-11 -16610.3 9.44208 );
|
|
}
|
|
}
|
|
C2H2(NO2)2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 118.049;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 16.5193 0.0109828 -4.28161e-06 7.24665e-10 -4.47052e-14 -1840.03 -56.9856 );
|
|
lowCpCoeffs ( 4.46008 0.0238753 3.45147e-05 -7.10367e-08 3.2087e-11 2354.83 9.91351 );
|
|
}
|
|
}
|
|
s-1,2,3-C6H4-5-yne
|
|
{
|
|
specie
|
|
{
|
|
molWeight 76.0988;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 11.9575 0.0140267 -4.98341e-06 7.98638e-10 -4.75692e-14 62477.8 -34.5944 );
|
|
lowCpCoeffs ( 0.627068 0.0548105 -6.45568e-05 4.20781e-08 -1.12071e-11 65186.2 21.7066 );
|
|
}
|
|
}
|
|
Cr(cr)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 51.996;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 311.5;
|
|
Thigh 2130;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.59783 -0.00481791 5.8413e-06 -2.07037e-09 2.82102e-13 -1314.9 -22.4455 );
|
|
lowCpCoeffs ( 1.82863 0.00419562 -2.82735e-06 -9.15995e-10 1.55203e-12 -705.503 -8.69806 );
|
|
}
|
|
}
|
|
C8H6__Benzocybuten
|
|
{
|
|
specie
|
|
{
|
|
molWeight 102.137;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 14.6814 0.0227436 -8.23049e-06 1.33588e-09 -8.0291e-14 42256.2 -56.5249 );
|
|
lowCpCoeffs ( -0.449261 0.0377029 4.69708e-05 -9.90233e-08 4.52489e-11 47530.7 27.5548 );
|
|
}
|
|
}
|
|
C3H_Radical_HCCC
|
|
{
|
|
specie
|
|
{
|
|
molWeight 37.0414;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.14184 0.00339661 -1.21915e-06 1.97783e-10 -1.18313e-14 84422.6 -6.4448 );
|
|
lowCpCoeffs ( 3.34917 0.0165823 -2.77116e-05 2.51382e-08 -8.85285e-12 84986.3 6.80362 );
|
|
}
|
|
}
|
|
MgBr
|
|
{
|
|
specie
|
|
{
|
|
molWeight 104.213;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.63725 -0.000298622 2.55006e-07 -5.63129e-11 3.57859e-15 -682.134 2.99993 );
|
|
lowCpCoeffs ( 3.14479 0.0072294 -1.52542e-05 1.4555e-08 -5.13405e-12 -409.239 9.95006 );
|
|
}
|
|
}
|
|
C2-
|
|
{
|
|
specie
|
|
{
|
|
molWeight 24.0228;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 1.93432 0.00335844 -1.22109e-06 1.8834e-10 -1.04534e-14 60223 12.0432 );
|
|
lowCpCoeffs ( 3.82043 -0.00288166 8.21933e-06 -7.32264e-09 2.41409e-12 59703 2.43184 );
|
|
}
|
|
}
|
|
N4_cyclo
|
|
{
|
|
specie
|
|
{
|
|
molWeight 56.0268;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.80513 0.00281576 -1.00234e-06 1.60579e-10 -9.55374e-15 91002.4 4.96882 );
|
|
lowCpCoeffs ( 7.98734 0.000357879 -2.65838e-06 6.29744e-09 -3.2147e-12 90707.9 -1.156 );
|
|
}
|
|
}
|
|
SF3
|
|
{
|
|
specie
|
|
{
|
|
molWeight 89.0592;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.9508 0.00109615 -4.34375e-07 7.47213e-11 -4.67128e-15 -63606.5 -17.9973 );
|
|
lowCpCoeffs ( 1.02284 0.0376417 -6.7757e-05 5.73053e-08 -1.85301e-11 -62113 19.4374 );
|
|
}
|
|
}
|
|
Kr
|
|
{
|
|
specie
|
|
{
|
|
molWeight 83.8;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.50001 -2.7819e-08 1.74072e-11 -4.314e-15 3.66743e-19 -745.38 5.49088 );
|
|
lowCpCoeffs ( 2.5 0 0 0 0 -745.375 5.49096 );
|
|
}
|
|
}
|
|
Bi___GAS
|
|
{
|
|
specie
|
|
{
|
|
molWeight 208.98;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 2000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.69503 -0.000584703 6.42405e-07 -3.09795e-10 5.65298e-14 24103 7.24612 );
|
|
lowCpCoeffs ( 2.25869 0.00170778 -4.12096e-06 4.16389e-09 -1.50993e-12 24175.8 9.24984 );
|
|
}
|
|
}
|
|
C3H3ON_Oxazole
|
|
{
|
|
specie
|
|
{
|
|
molWeight 69.0635;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.60597 0.0120349 -4.35801e-06 7.07799e-10 -4.25651e-14 -5962.04 -22.3246 );
|
|
lowCpCoeffs ( 1.98827 0.00421233 6.97201e-05 -1.01745e-07 4.27728e-11 -3075.52 17.6196 );
|
|
}
|
|
}
|
|
C10H10_3-meIndene
|
|
{
|
|
specie
|
|
{
|
|
molWeight 130.191;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 18.6534 0.034873 -1.26087e-05 2.04483e-09 -1.22818e-13 11494.7 -77.5808 );
|
|
lowCpCoeffs ( 1.10114 0.0421733 8.14199e-05 -1.45129e-07 6.32748e-11 18168 22.5602 );
|
|
}
|
|
}
|
|
C2H5ClO2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 96.514;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 11.5961 0.0146988 -5.56316e-06 9.24997e-10 -5.64232e-14 -30672.5 -32.0337 );
|
|
lowCpCoeffs ( 3.19878 0.0250807 1.51507e-05 -4.08074e-08 1.89776e-11 -27744.4 14.3865 );
|
|
}
|
|
}
|
|
BrNC_BrIsocyanogen
|
|
{
|
|
specie
|
|
{
|
|
molWeight 105.919;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.34254 0.00155902 -5.79739e-07 9.57134e-11 -5.81797e-15 38998.5 -2.80697 );
|
|
lowCpCoeffs ( 3.62229 0.0112461 -2.27175e-05 2.25875e-08 -8.32669e-12 39295.7 5.04088 );
|
|
}
|
|
}
|
|
C6F6
|
|
{
|
|
specie
|
|
{
|
|
molWeight 186.057;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 23.3187 0.0107562 -4.17042e-06 7.0744e-10 -4.38073e-14 -125374 -93.0675 );
|
|
lowCpCoeffs ( 1.97961 0.0821822 -0.000103023 6.88553e-08 -1.94263e-11 -119957 14.4673 );
|
|
}
|
|
}
|
|
C2H5-_Ethyl_anio
|
|
{
|
|
specie
|
|
{
|
|
molWeight 29.0627;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.66553 0.0124689 -4.51363e-06 7.32102e-10 -4.39607e-14 14236.9 -2.35821 );
|
|
lowCpCoeffs ( 1.80037 0.0132987 7.56687e-06 -1.55256e-08 6.16858e-12 15482.3 14.4297 );
|
|
}
|
|
}
|
|
C5H5OH_Cyclo-1,3
|
|
{
|
|
specie
|
|
{
|
|
molWeight 82.103;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.0654 0.0187856 -6.69026e-06 1.07436e-09 -6.40971e-14 -10208.8 -39.933 );
|
|
lowCpCoeffs ( -0.445002 0.0367965 2.1348e-05 -6.30989e-08 3.05705e-11 -6133.51 28.1881 );
|
|
}
|
|
}
|
|
HSO
|
|
{
|
|
specie
|
|
{
|
|
molWeight 49.0714;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.34724 0.00253372 -9.51431e-07 1.58095e-10 -9.65295e-15 -4208.94 3.15888 );
|
|
lowCpCoeffs ( 4.13565 -0.00369243 2.0517e-05 -2.40531e-08 9.17084e-12 -3823.72 5.8877 );
|
|
}
|
|
}
|
|
O-
|
|
{
|
|
specie
|
|
{
|
|
molWeight 15.9999;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.54475 -4.66696e-05 1.84912e-08 -3.18159e-12 1.98963e-16 11504.2 4.52131 );
|
|
lowCpCoeffs ( 2.90806 -0.00169805 2.9807e-06 -2.43835e-09 7.61229e-13 11435.8 2.80339 );
|
|
}
|
|
}
|
|
Fe3C_(S)_Solid-A
|
|
{
|
|
specie
|
|
{
|
|
molWeight 179.552;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 485;
|
|
Tcommon 485;
|
|
highCpCoeffs 7 { 0 };
|
|
lowCpCoeffs ( 9.68771 0.0104155 -9.03326e-07 7.59128e-10 0 -325.546 -45.6882 );
|
|
}
|
|
}
|
|
C4H8O2_MePropionat
|
|
{
|
|
specie
|
|
{
|
|
molWeight 88.1072;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 10.954 0.0244966 -8.96191e-06 1.45662e-09 -8.74355e-14 -58057.3 -26.7743 );
|
|
lowCpCoeffs ( 8.25439 -0.00371521 9.70927e-05 -1.19376e-07 4.56017e-11 -55533 -4.08648 );
|
|
}
|
|
}
|
|
HDO
|
|
{
|
|
specie
|
|
{
|
|
molWeight 19.0215;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.79395 0.00330866 -1.03343e-06 1.54725e-10 -8.75036e-15 -30407.5 7.28892 );
|
|
lowCpCoeffs ( 4.21154 -0.00238559 8.29217e-06 -7.18957e-09 2.28659e-12 -30709.5 0.402248 );
|
|
}
|
|
}
|
|
MgO(cr)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 40.3114;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 600;
|
|
Thigh 3100;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 17.7037 -0.0376618 2.88944e-05 -9.28882e-09 1.08945e-12 -78965.5 -89.0536 );
|
|
lowCpCoeffs ( 78.7549 -0.528711 0.00124188 -1.22847e-06 4.37279e-10 -81264.3 -328.879 );
|
|
}
|
|
}
|
|
C3H3Cl_CH2Cl-CCH
|
|
{
|
|
specie
|
|
{
|
|
molWeight 74.5104;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.20467 0.00934315 -3.29668e-06 5.25832e-10 -3.12155e-14 18490.1 -15.4035 );
|
|
lowCpCoeffs ( 1.89839 0.0284072 -2.35398e-05 8.07353e-09 -9.35844e-14 20137.6 16.7159 );
|
|
}
|
|
}
|
|
CD3OD_Methanol_d4
|
|
{
|
|
specie
|
|
{
|
|
molWeight 36.0669;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.04918 0.00889559 -3.31067e-06 5.46963e-10 -3.32659e-14 -28965.5 -8.37256 );
|
|
lowCpCoeffs ( 3.88645 -0.00267006 4.85836e-05 -6.24068e-08 2.47546e-11 -27537.2 6.97316 );
|
|
}
|
|
}
|
|
C8H18(L)_n-octane
|
|
{
|
|
specie
|
|
{
|
|
molWeight 114.233;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 216.37;
|
|
Thigh 400;
|
|
Tcommon 400;
|
|
highCpCoeffs 7 { 0 };
|
|
lowCpCoeffs ( 93.7688 -0.858272 0.00394831 -7.58573e-06 5.41151e-09 -42354.7 -354.1 );
|
|
}
|
|
}
|
|
CBr4
|
|
{
|
|
specie
|
|
{
|
|
molWeight 331.615;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.1246 0.00091575 -3.63156e-07 6.25002e-11 -3.90855e-15 8394.91 -31.6867 );
|
|
lowCpCoeffs ( 5.10359 0.0339593 -6.24045e-05 5.36484e-08 -1.7571e-11 9691.51 1.31944 );
|
|
}
|
|
}
|
|
BaO(G)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 153.339;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.55503 0.00195445 -1.45135e-06 4.38036e-10 -3.76905e-14 -15310.7 7.55561 );
|
|
lowCpCoeffs ( 2.78389 0.00615838 -9.25761e-06 6.55344e-09 -1.77964e-12 -15219.9 10.9787 );
|
|
}
|
|
}
|
|
MgI2(s)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 278.121;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 906;
|
|
Tcommon 906;
|
|
highCpCoeffs 7 { 0 };
|
|
lowCpCoeffs ( 8.29153 0.00223272 0 0 0 -47071.9 -31.7911 );
|
|
}
|
|
}
|
|
C6HCl5_5-ClBenzen
|
|
{
|
|
specie
|
|
{
|
|
molWeight 250.34;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 23.043 0.0106114 -4.02525e-06 6.73772e-10 -4.13606e-14 -13021.6 -86.0267 );
|
|
lowCpCoeffs ( 3.09764 0.0759244 -8.84096e-05 5.21155e-08 -1.24664e-11 -7980.04 14.5894 );
|
|
}
|
|
}
|
|
C4N2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 76.058;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 10.4154 0.00571824 -2.12579e-06 3.50943e-10 -2.13328e-14 60000 -26.7166 );
|
|
lowCpCoeffs ( 2.17476 0.0476127 -8.98017e-05 8.4151e-08 -2.97993e-11 61524.3 11.662 );
|
|
}
|
|
}
|
|
CH2F2___FC-32
|
|
{
|
|
specie
|
|
{
|
|
molWeight 52.0239;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.06948 0.00723193 -2.64021e-06 4.30855e-10 -2.59873e-14 -56727 -2.3459 );
|
|
lowCpCoeffs ( 4.25023 -0.00684861 4.85583e-05 -5.83443e-08 2.24504e-11 -55735.2 5.76716 );
|
|
}
|
|
}
|
|
HCC-OH__Ethynol
|
|
{
|
|
specie
|
|
{
|
|
molWeight 42.0376;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.3751 0.00549429 -1.88137e-06 2.93804e-10 -1.71772e-14 8932.78 -8.24498 );
|
|
lowCpCoeffs ( 2.05541 0.0252003 -3.80822e-05 3.09891e-08 -9.898e-12 9768.72 12.2272 );
|
|
}
|
|
}
|
|
C5H5N_PYRIDINE_Cy
|
|
{
|
|
specie
|
|
{
|
|
molWeight 79.1023;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 10.7374 0.0184113 -6.70894e-06 1.0937e-09 -6.59272e-14 11477.1 -35.5805 );
|
|
lowCpCoeffs ( 1.23341 0.0140843 7.37761e-05 -1.1406e-07 4.84333e-11 15404.7 20.4145 );
|
|
}
|
|
}
|
|
MgF2(cr)II
|
|
{
|
|
specie
|
|
{
|
|
molWeight 62.3088;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 500;
|
|
Thigh 1536;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2897.3 -9.03757 0.010531 -5.41953e-06 1.03995e-09 -873640 -14671.8 );
|
|
lowCpCoeffs ( 554.874 -3.90781 0.00958459 -9.81563e-06 3.59511e-09 -192638 -2320.91 );
|
|
}
|
|
}
|
|
NITROPROPYLENE_C
|
|
{
|
|
specie
|
|
{
|
|
molWeight 87.0788;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 11.6044 0.0173925 -6.55604e-06 1.08945e-09 -6.64543e-14 -4170.83 -34.0158 );
|
|
lowCpCoeffs ( 3.65176 0.0201896 3.27505e-05 -5.72328e-08 2.41049e-11 -972.583 11.8667 );
|
|
}
|
|
}
|
|
BCl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 46.264;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.96061 0.000788572 -3.93578e-07 8.74006e-11 -5.82789e-15 20756.3 2.71464 );
|
|
lowCpCoeffs ( 3.07846 0.00257184 5.37064e-07 -3.86057e-09 2.11038e-12 21000.3 7.34668 );
|
|
}
|
|
}
|
|
Po_Polonium_(L)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 210;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 527;
|
|
Thigh 1900;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( -15.4875 0.0543224 -5.64402e-05 2.56479e-08 -4.31024e-12 5281.56 87.3532 );
|
|
lowCpCoeffs ( -26.7568 0.161098 -0.000312597 2.65296e-07 -8.3308e-11 4436.09 126.368 );
|
|
}
|
|
}
|
|
C5H3
|
|
{
|
|
specie
|
|
{
|
|
molWeight 63.0797;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 10.2967 0.0104701 -3.77461e-06 6.10773e-10 -3.66211e-14 68439.4 -27.3385 );
|
|
lowCpCoeffs ( 1.59465 0.0433784 -5.62538e-05 4.1304e-08 -1.24569e-11 70491.1 15.6448 );
|
|
}
|
|
}
|
|
Bi(OH)3
|
|
{
|
|
specie
|
|
{
|
|
molWeight 260.002;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.7326 0.00273923 -6.48426e-07 6.95834e-11 -2.74016e-15 -27804.7 -31.2777 );
|
|
lowCpCoeffs ( -2.16951 0.0861873 -0.000171661 1.53525e-07 -5.09911e-11 -25788.5 35.3158 );
|
|
}
|
|
}
|
|
C10H10_1,1p(C5H5)2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 130.191;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 19.6543 0.0333886 -1.20413e-05 1.94964e-09 -1.16973e-13 25347.3 -80.8052 );
|
|
lowCpCoeffs ( 1.92659 0.0278898 0.000132941 -2.10257e-07 9.03339e-11 32458.5 22.7839 );
|
|
}
|
|
}
|
|
C6H14O_2-hexanol
|
|
{
|
|
specie
|
|
{
|
|
molWeight 102.178;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 14.2082 0.0401726 -1.43001e-05 2.29436e-09 -1.36757e-13 -48390 -50.2253 );
|
|
lowCpCoeffs ( 6.963 0.0104292 0.000128853 -1.7253e-07 6.85232e-11 -44016.7 -0.900732 );
|
|
}
|
|
}
|
|
CH2N2O2_H2C=NNO2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 74.0393;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.91359 0.00871159 -3.1685e-06 5.13059e-10 -3.0767e-14 11922.7 -19.3937 );
|
|
lowCpCoeffs ( 2.31412 0.0247488 -1.3686e-05 -1.21679e-09 2.77887e-12 13879.9 15.2896 );
|
|
}
|
|
}
|
|
C4H10O2_t-perox
|
|
{
|
|
specie
|
|
{
|
|
molWeight 90.1231;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 15.2702 0.0256463 -9.02796e-06 1.43759e-09 -8.52382e-14 -35853.9 -54.4967 );
|
|
lowCpCoeffs ( 3.96033 0.0406267 1.85652e-05 -5.72129e-08 2.73015e-11 -32046.7 7.55566 );
|
|
}
|
|
}
|
|
CH3NO__HO-CH=NH
|
|
{
|
|
specie
|
|
{
|
|
molWeight 45.0412;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.88683 0.00957061 -3.29001e-06 5.08597e-10 -2.94287e-14 -16961.8 -0.676591 );
|
|
lowCpCoeffs ( 3.9145 -0.00651691 5.74062e-05 -7.1004e-08 2.78469e-11 -15874.9 8.6479 );
|
|
}
|
|
}
|
|
BiCl2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 279.886;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.93557 6.85119e-05 -2.74306e-08 4.75088e-12 -2.98404e-16 -13351.7 -0.800334 );
|
|
lowCpCoeffs ( 5.754 0.00715022 -1.60057e-05 1.57725e-08 -5.68991e-12 -13189 4.43553 );
|
|
}
|
|
}
|
|
Br2(cr)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 159.802;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 265.9;
|
|
Tcommon 265.9;
|
|
highCpCoeffs 7 { 0 };
|
|
lowCpCoeffs ( 9.12519 -0.0826112 0.000699829 -2.40834e-06 3.21096e-09 -3304.08 -30.1719 );
|
|
}
|
|
}
|
|
ClO3F
|
|
{
|
|
specie
|
|
{
|
|
molWeight 102.45;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 9.8402 0.00325551 -1.28321e-06 2.19711e-10 -1.36349e-14 -6485.53 -24.7267 );
|
|
lowCpCoeffs ( 0.605661 0.0352831 -4.51136e-05 2.82788e-08 -7.03541e-12 -4265.09 21.3532 );
|
|
}
|
|
}
|
|
Po+_Polonium_catio
|
|
{
|
|
specie
|
|
{
|
|
molWeight 209.999;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.44024 0.000128995 -9.21272e-08 2.45899e-11 -1.70605e-15 119647 8.57695 );
|
|
lowCpCoeffs ( 2.5 -4.39689e-07 2.02541e-09 -2.95666e-12 1.35888e-15 119627 8.2549 );
|
|
}
|
|
}
|
|
BrO-
|
|
{
|
|
specie
|
|
{
|
|
molWeight 95.9008;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.33138 0.000190554 -7.04754e-08 1.21523e-11 -7.60983e-16 -14564.3 3.42083 );
|
|
lowCpCoeffs ( 2.90511 0.00661959 -1.15083e-05 9.34661e-09 -2.90014e-12 -14293.7 10.1764 );
|
|
}
|
|
}
|
|
Fe.947O(L)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 71.8464;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 1652;
|
|
Thigh 6000;
|
|
Tcommon 1652;
|
|
highCpCoeffs ( 8.14708 0 0 0 0 -32550.5 -39.955 );
|
|
lowCpCoeffs 7 { 0 };
|
|
}
|
|
}
|
|
s-(CH3COOH)2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 120.106;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 15.8245 0.0261836 -9.46101e-06 1.53338e-09 -9.2048e-14 -119039 -51.1095 );
|
|
lowCpCoeffs ( 7.75424 0.0138949 8.32892e-05 -1.20016e-07 4.90658e-11 -115186 -1.22178 );
|
|
}
|
|
}
|
|
SF4-
|
|
{
|
|
specie
|
|
{
|
|
molWeight 108.058;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.1204 0.000954147 -4.06939e-07 7.88213e-11 -5.33168e-15 -110639 -32.2917 );
|
|
lowCpCoeffs ( 3.92509 0.038886 -6.9416e-05 5.73935e-08 -1.80477e-11 -109127 6.29751 );
|
|
}
|
|
}
|
|
SF5Cl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 162.509;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 16.0686 0.00305299 -1.20757e-06 2.07474e-10 -1.29596e-14 -130583 -55.2134 );
|
|
lowCpCoeffs ( -3.15613 0.0876996 -0.000150638 1.22755e-07 -3.85523e-11 -126801 36.4404 );
|
|
}
|
|
}
|
|
T_Tritium__(g)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 3.016;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.49999 2.43707e-08 -2.90327e-11 7.1659e-15 -5.12429e-19 26119.9 1.19729 );
|
|
lowCpCoeffs ( 2.5 -4.39695e-07 2.02543e-09 -2.95668e-12 1.35888e-15 26119.9 1.19728 );
|
|
}
|
|
}
|
|
NH4ClO4(I)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 117.489;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 513.15;
|
|
Tcommon 200;
|
|
highCpCoeffs 7 { 0 };
|
|
lowCpCoeffs ( 6.35704 0.0413639 -5.92805e-05 8.96505e-08 -4.96854e-11 -38936.2 -24.4599 );
|
|
}
|
|
}
|
|
SO2-
|
|
{
|
|
specie
|
|
{
|
|
molWeight 64.0633;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.84893 0.00118027 -4.62434e-07 7.89612e-11 -4.91115e-15 -51158.7 -3.38386 );
|
|
lowCpCoeffs ( 2.54056 0.0115869 -1.26644e-05 6.26116e-09 -1.08334e-12 -50316.2 13.3728 );
|
|
}
|
|
}
|
|
s-1-C10H7-CC*
|
|
{
|
|
specie
|
|
{
|
|
molWeight 151.19;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 22.8546 0.0294181 -1.07719e-05 1.76195e-09 -1.06462e-13 73130.1 -96.2296 );
|
|
lowCpCoeffs ( -0.191438 0.0657353 2.42665e-05 -9.15358e-08 4.48818e-11 80664.9 28.9829 );
|
|
}
|
|
}
|
|
CNN+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 40.024;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.81246 0.00165326 -6.30559e-07 1.05845e-10 -6.50774e-15 195836 -5.55194 );
|
|
lowCpCoeffs ( 3.93138 0.0075873 -8.55735e-06 5.55474e-09 -1.58157e-12 196345 4.04892 );
|
|
}
|
|
}
|
|
C4Cl6_Butadiene
|
|
{
|
|
specie
|
|
{
|
|
molWeight 260.763;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 22.3979 0.00567754 -2.20996e-06 3.75847e-10 -2.33152e-14 -8680.22 -75.9758 );
|
|
lowCpCoeffs ( 4.85061 0.0752937 -0.000116517 9.05747e-08 -2.79838e-11 -4796.18 9.69822 );
|
|
}
|
|
}
|
|
Pb(G)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 207.19;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.16342 -0.00349638 2.28263e-06 -4.76749e-10 3.22224e-14 22168.7 -2.13525 );
|
|
lowCpCoeffs ( 2.50229 -2.44054e-05 9.17083e-08 -1.42818e-10 7.83762e-14 22731.5 6.84009 );
|
|
}
|
|
}
|
|
TBr_Tritium_Brom
|
|
{
|
|
specie
|
|
{
|
|
molWeight 127.801;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.39165 0.00126548 -5.31182e-07 1.03002e-10 -7.37173e-15 -5971.85 5.18082 );
|
|
lowCpCoeffs ( 3.83542 -0.00345087 1.12953e-05 -1.13675e-08 3.90921e-12 -5915.3 3.76282 );
|
|
}
|
|
}
|
|
CH5N2__CH2*NHNH2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 45.0644;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 7.12771 0.0114177 -3.88835e-06 6.04847e-10 -3.52613e-14 29391.5 -10.238 );
|
|
lowCpCoeffs ( 2.31544 0.0218627 -3.68464e-06 -1.3271e-08 8.00413e-12 30774.4 15.0726 );
|
|
}
|
|
}
|
|
PF2Cl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 104.424;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.87093 0.00117366 -4.63688e-07 7.96067e-11 -4.96994e-15 -91371 -16.0287 );
|
|
lowCpCoeffs ( 2.08384 0.0303508 -5.08862e-05 4.07325e-08 -1.26254e-11 -90004.2 16.4931 );
|
|
}
|
|
}
|
|
N2O_NON
|
|
{
|
|
specie
|
|
{
|
|
molWeight 44.0128;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.30377 0.00165185 -6.27702e-07 1.05113e-10 -6.45216e-15 63231 -2.02338 );
|
|
lowCpCoeffs ( 3.41799 0.00858574 -1.21336e-05 9.87659e-09 -3.32011e-12 63705 7.39343 );
|
|
}
|
|
}
|
|
P3
|
|
{
|
|
specie
|
|
{
|
|
molWeight 92.9214;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.93608 0.000588515 -2.33059e-07 4.0074e-11 -2.50455e-15 23028.7 -8.31857 );
|
|
lowCpCoeffs ( 2.66259 0.0207828 -3.84306e-05 3.33177e-08 -1.10034e-11 23818.4 11.7637 );
|
|
}
|
|
}
|
|
C14H10O_Phenantrol
|
|
{
|
|
specie
|
|
{
|
|
molWeight 194.235;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 29.553 0.0404155 -1.60092e-05 2.91498e-09 -1.99586e-13 -10179.3 -136.142 );
|
|
lowCpCoeffs ( 18.606 -0.0363716 0.000308795 -3.89835e-07 1.55169e-10 -1992.87 -54.0625 );
|
|
}
|
|
}
|
|
C3H9N__(CH3)3N
|
|
{
|
|
specie
|
|
{
|
|
molWeight 59.1119;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.17469 0.0239415 -8.5102e-06 1.3637e-09 -8.12014e-14 -7241.66 -20.231 );
|
|
lowCpCoeffs ( 4.83906 0.00879657 6.09137e-05 -8.2074e-08 3.24132e-11 -5114.31 2.93266 );
|
|
}
|
|
}
|
|
N2O4__ONONO2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 92.011;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 11.6088 0.00435185 -1.77837e-06 3.10967e-10 -1.96385e-14 1864.5 -31.2109 );
|
|
lowCpCoeffs ( 2.97566 0.029767 -3.21501e-05 1.89019e-08 -5.02084e-12 4266.49 13.2488 );
|
|
}
|
|
}
|
|
F2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 37.9968;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.86166 0.000788368 -1.81983e-07 -9.17437e-12 2.65193e-15 -1232.39 2.0412 );
|
|
lowCpCoeffs ( 3.20832 0.00125919 3.89748e-06 -7.22185e-09 3.31838e-12 -1034.26 5.61904 );
|
|
}
|
|
}
|
|
C2N-__C-CN-
|
|
{
|
|
specie
|
|
{
|
|
molWeight 38.0295;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.33835 0.00213231 -8.16633e-07 1.37442e-10 -8.46568e-15 46577.1 -4.9224 );
|
|
lowCpCoeffs ( 2.88096 0.00892073 -7.97916e-06 3.69578e-09 -7.35298e-13 47283.6 7.8411 );
|
|
}
|
|
}
|
|
CH+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 13.0186;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.53732 -0.00205168 1.69589e-06 -3.51102e-10 2.22132e-14 194666 -5.02788 );
|
|
lowCpCoeffs ( 3.53801 -7.59269e-05 -6.09574e-07 2.00822e-09 -1.00808e-12 195062 0.523244 );
|
|
}
|
|
}
|
|
MgF2(cr)I
|
|
{
|
|
specie
|
|
{
|
|
molWeight 62.3088;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 500;
|
|
Tcommon 500;
|
|
highCpCoeffs 7 { 0 };
|
|
lowCpCoeffs ( 3.15877 0.00196088 0.000105362 -2.77411e-07 2.08833e-10 -136720 -14.3472 );
|
|
}
|
|
}
|
|
C6H5Cl+_Chlorobe
|
|
{
|
|
specie
|
|
{
|
|
molWeight 112.559;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 13.3336 0.018496 -6.67781e-06 1.08223e-09 -6.49785e-14 106331 -45.3857 );
|
|
lowCpCoeffs ( -2.24825 0.057624 -3.45298e-05 -3.19483e-10 5.64264e-12 110842 36.0886 );
|
|
}
|
|
}
|
|
C16H9_2-Pyrenyl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 201.25;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 30.1699 0.040405 -1.56614e-05 2.78717e-09 -1.87053e-13 42686.3 -141.039 );
|
|
lowCpCoeffs ( -12.3297 0.157365 -0.000127786 4.00964e-08 0 54716.2 79.0371 );
|
|
}
|
|
}
|
|
CH-
|
|
{
|
|
specie
|
|
{
|
|
molWeight 13.0197;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.91788 0.00395546 -5.10627e-07 8.24475e-11 -4.9327e-15 55634.5 3.74464 );
|
|
lowCpCoeffs ( 3.69177 0.00118803 2.54796e-06 -8.39757e-10 -1.47775e-13 55483.9 -0.0199682 );
|
|
}
|
|
}
|
|
NHF2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 53.0115;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.64988 0.00393939 -1.43315e-06 2.33438e-10 -1.40651e-14 -14562.3 -3.64518 );
|
|
lowCpCoeffs ( 3.32126 0.0035048 1.62693e-05 -2.57112e-08 1.09913e-11 -13632.1 9.92055 );
|
|
}
|
|
}
|
|
C8H14_Bicyclooctan
|
|
{
|
|
specie
|
|
{
|
|
molWeight 110.201;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 14.0065 0.044714 -1.61213e-05 2.60904e-09 -1.56461e-13 -20556.6 -58.9457 );
|
|
lowCpCoeffs ( 3.73261 -0.00332416 0.000211532 -2.78026e-07 1.11137e-10 -14248.2 11.9566 );
|
|
}
|
|
}
|
|
HNOH_trans_&_Equ
|
|
{
|
|
specie
|
|
{
|
|
molWeight 32.022;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.98322 0.00488846 -1.65087e-06 2.55371e-10 -1.48309e-14 10578 3.62583 );
|
|
lowCpCoeffs ( 3.95608 -0.00302611 2.56874e-05 -3.15645e-08 1.24085e-11 10920 5.55951 );
|
|
}
|
|
}
|
|
C2HO__HCC=O-
|
|
{
|
|
specie
|
|
{
|
|
molWeight 41.0302;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.60971 0.00382836 -1.35764e-06 2.17298e-10 -1.29311e-14 -8443.56 -4.67311 );
|
|
lowCpCoeffs ( 2.23678 0.0176979 -2.49377e-05 1.91895e-08 -5.90166e-12 -7710.68 11.6949 );
|
|
}
|
|
}
|
|
C4H9O2_n-Butyl_P
|
|
{
|
|
specie
|
|
{
|
|
molWeight 89.1151;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.343 0.0262571 -9.56671e-06 1.55187e-09 -9.30636e-14 -13863.1 -35.1216 );
|
|
lowCpCoeffs ( 7.72178 -0.0052448 0.00012351 -1.57238e-07 6.17434e-11 -10519.6 -0.764798 );
|
|
}
|
|
}
|
|
CD4__ANHARMONIC
|
|
{
|
|
specie
|
|
{
|
|
molWeight 20.0676;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.20203 0.00862038 -3.01238e-06 5.09063e-10 -3.08147e-14 -12780.2 -3.46169 );
|
|
lowCpCoeffs ( 4.06374 -0.00694648 4.66443e-05 -5.34151e-08 1.99418e-11 -11924.2 1.21368 );
|
|
}
|
|
}
|
|
CH2=CH-NO2_Nitroe
|
|
{
|
|
specie
|
|
{
|
|
molWeight 73.0517;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 10.0661 0.0104932 -3.92098e-06 6.47762e-10 -3.93532e-14 -763.65 -26.181 );
|
|
lowCpCoeffs ( 2.75939 0.0170696 2.37368e-05 -4.77983e-08 2.14793e-11 1843.4 14.6556 );
|
|
}
|
|
}
|
|
C3HCl3__TriClAllen
|
|
{
|
|
specie
|
|
{
|
|
molWeight 143.4;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.685 0.00585276 -2.16094e-06 3.55451e-10 -2.15623e-14 13332.6 -32.7481 );
|
|
lowCpCoeffs ( 2.62 0.04429 -6.23187e-05 4.53979e-08 -1.32785e-11 15622.4 16.7204 );
|
|
}
|
|
}
|
|
C2H4Cl2_1,1-Dich
|
|
{
|
|
specie
|
|
{
|
|
molWeight 98.9602;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 9.09568 0.0108697 -3.86742e-06 6.20398e-10 -3.69782e-14 -19114.9 -19.7555 );
|
|
lowCpCoeffs ( 3.18056 0.0194629 7.84538e-06 -2.67053e-08 1.28979e-11 -17156.2 12.5299 );
|
|
}
|
|
}
|
|
CH3-CO-O-O-CO-CH3
|
|
{
|
|
specie
|
|
{
|
|
molWeight 118.09;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 14.7809 0.0221809 -8.32215e-06 1.39901e-09 -8.64738e-14 -66830 -46.5856 );
|
|
lowCpCoeffs ( 3.60214 0.0352493 2.10387e-05 -5.57591e-08 2.58211e-11 -62864.4 15.4614 );
|
|
}
|
|
}
|
|
C3H8O_1propanol
|
|
{
|
|
specie
|
|
{
|
|
molWeight 60.0966;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.52377 0.0210371 -7.48398e-06 1.19959e-09 -7.14873e-14 -35070.2 -17.7857 );
|
|
lowCpCoeffs ( 5.41878 -0.000575566 8.51215e-05 -1.1106e-07 4.43007e-11 -32836.8 5.29974 );
|
|
}
|
|
}
|
|
C13H28_TriDecane
|
|
{
|
|
specie
|
|
{
|
|
molWeight 184.368;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 35.0551 0.0698462 -2.56347e-05 4.43793e-09 -2.93093e-13 -55252.9 -149.656 );
|
|
lowCpCoeffs ( 3.45572 0.111283 2.80832e-05 -1.17431e-07 5.80778e-11 -43484.6 26.3598 );
|
|
}
|
|
}
|
|
C4H8O2_EtAcetate
|
|
{
|
|
specie
|
|
{
|
|
molWeight 88.1072;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 11.141 0.0242676 -8.89094e-06 1.44739e-09 -8.69916e-14 -59474.7 -27.6137 );
|
|
lowCpCoeffs ( 7.91861 -0.00211384 9.52778e-05 -1.19125e-07 4.59201e-11 -56842.9 -2.36828 );
|
|
}
|
|
}
|
|
BrF
|
|
{
|
|
specie
|
|
{
|
|
molWeight 98.8993;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.70486 -0.000493114 3.17568e-07 -4.74174e-11 1.33804e-15 -8594.09 0.566623 );
|
|
lowCpCoeffs ( 2.77975 0.00621878 -9.36182e-06 6.67211e-09 -1.82559e-12 -8112.96 10.2095 );
|
|
}
|
|
}
|
|
C5H9_1buten3m1yl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 69.1275;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.1319 0.0234015 -8.38993e-06 1.34967e-09 -8.05759e-14 20454.6 -38.3661 );
|
|
lowCpCoeffs ( 3.17441 0.0242141 4.71419e-05 -8.0273e-08 3.41552e-11 24053.8 13.5805 );
|
|
}
|
|
}
|
|
C30H62_Triacotane
|
|
{
|
|
specie
|
|
{
|
|
molWeight 422.829;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 68.2706 0.177135 -6.82284e-05 1.22928e-08 -8.38878e-13 -114713 -296.194 );
|
|
lowCpCoeffs ( -7.00877 0.363734 -0.000230129 7.07463e-08 -8.71125e-12 -91805.6 100.653 );
|
|
}
|
|
}
|
|
Kr+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 83.7995;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.36498 0.000127777 3.61873e-08 -1.73047e-11 1.53456e-15 162523 7.67137 );
|
|
lowCpCoeffs ( 2.49761 1.45839e-05 -1.92983e-08 -2.15799e-11 4.18602e-14 162458 6.88748 );
|
|
}
|
|
}
|
|
C4H6O_H3CCH2CH=C
|
|
{
|
|
specie
|
|
{
|
|
molWeight 70.0918;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 10.1127 0.0175782 -6.32512e-06 1.01862e-09 -6.07899e-14 -15216.5 -25.621 );
|
|
lowCpCoeffs ( 3.2361 0.0232109 2.16181e-05 -4.71002e-08 2.13586e-11 -12724.9 12.9611 );
|
|
}
|
|
}
|
|
SCl2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 102.97;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.63743 0.000388043 -1.56235e-07 2.65918e-11 -1.52246e-15 -4198.02 -4.27471 );
|
|
lowCpCoeffs ( 2.93586 0.0192722 -3.80228e-05 3.44034e-08 -1.16944e-11 -3571.99 12.8082 );
|
|
}
|
|
}
|
|
CCl3OH
|
|
{
|
|
specie
|
|
{
|
|
molWeight 135.378;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 11.5618 0.00340353 -1.20404e-06 1.92738e-10 -1.14816e-14 -37119.6 -28.7401 );
|
|
lowCpCoeffs ( 1.93683 0.0474652 -8.26082e-05 7.00496e-08 -2.2901e-11 -35277.1 16.8237 );
|
|
}
|
|
}
|
|
C8H10_C6H5C2H5
|
|
{
|
|
specie
|
|
{
|
|
molWeight 106.169;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 15.6901 0.0323663 -1.16865e-05 1.8899e-09 -1.13202e-13 -4386.7 -60.4442 );
|
|
lowCpCoeffs ( 1.24077 0.0359133 7.54222e-05 -1.31904e-07 5.74747e-11 1183.92 22.4682 );
|
|
}
|
|
}
|
|
C3H2F3_CF3-C*=CH2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 95.0446;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.586 0.00812318 -2.95983e-06 4.80632e-10 -2.89086e-14 -49927.8 -36.5972 );
|
|
lowCpCoeffs ( 1.34294 0.0437082 -4.41291e-05 1.98066e-08 -2.52758e-12 -47085.9 20.2494 );
|
|
}
|
|
}
|
|
CH3CCl3_1,1,1-
|
|
{
|
|
specie
|
|
{
|
|
molWeight 133.405;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.0555 0.00844253 -3.04588e-06 4.93405e-10 -2.96165e-14 -21978.9 -34.0315 );
|
|
lowCpCoeffs ( 2.56424 0.0393928 -4.2666e-05 2.42268e-08 -5.60184e-12 -19575 13.8736 );
|
|
}
|
|
}
|
|
DNO-
|
|
{
|
|
specie
|
|
{
|
|
molWeight 32.0207;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.54032 0.00242787 -9.29956e-07 1.5651e-10 -9.63928e-15 6446.17 0.871019 );
|
|
lowCpCoeffs ( 3.72676 -0.00107518 1.42235e-05 -1.68741e-08 6.18412e-12 6979 6.54565 );
|
|
}
|
|
}
|
|
C5H9O2_Valeryl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 101.126;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 14.4917 0.0276404 -1.00992e-05 1.64585e-09 -9.91019e-14 -37826.9 -48.583 );
|
|
lowCpCoeffs ( 5.69817 0.0159947 8.36422e-05 -1.20927e-07 4.91721e-11 -33668.5 5.47565 );
|
|
}
|
|
}
|
|
C8H17_n-octyl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 113.225;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 18.6451 0.046198 -1.68985e-05 2.76916e-09 -1.67268e-13 -11391.9 -65.0893 );
|
|
lowCpCoeffs ( 11.8083 -0.000850352 0.000187699 -2.45692e-07 9.75817e-11 -6664.53 -14.7299 );
|
|
}
|
|
}
|
|
C4H8O_2-Butanone
|
|
{
|
|
specie
|
|
{
|
|
molWeight 72.1078;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 9.29655 0.0229173 -8.22049e-06 1.32405e-09 -7.91752e-14 -33444.2 -20.4993 );
|
|
lowCpCoeffs ( 6.61978 0.00851848 5.10322e-05 -6.58433e-08 2.4911e-11 -31525.2 -1.09485 );
|
|
}
|
|
}
|
|
C2H4Cl_alfaClEthyl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 63.5072;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.33558 0.0105535 -3.72692e-06 5.94578e-10 -3.52943e-14 7002.41 -5.4209 );
|
|
lowCpCoeffs ( 4.52093 0.00718693 1.81349e-05 -2.69956e-08 1.08743e-11 7928.7 6.01921 );
|
|
}
|
|
}
|
|
C3H5_SYMMETRIC
|
|
{
|
|
specie
|
|
{
|
|
molWeight 41.0733;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 7.00946 0.0131066 -4.65334e-06 7.45143e-10 -4.43501e-14 16412.9 -13.9461 );
|
|
lowCpCoeffs ( 1.4698 0.0190344 1.44804e-05 -3.54687e-08 1.66476e-11 18325.8 16.7241 );
|
|
}
|
|
}
|
|
HCOO__Formyloxy
|
|
{
|
|
specie
|
|
{
|
|
molWeight 45.0179;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.1488 0.00558144 -1.99182e-06 3.153e-10 -1.85172e-14 -16689.6 5.08765 );
|
|
lowCpCoeffs ( 4.76686 -0.00465307 2.66314e-05 -2.95374e-08 1.08274e-11 -16437.5 3.98051 );
|
|
}
|
|
}
|
|
C3H6O3_Lactic_Ac
|
|
{
|
|
specie
|
|
{
|
|
molWeight 90.0795;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.4126 0.0174731 -6.21435e-06 9.941e-10 -5.90619e-14 -78855.2 -35.4396 );
|
|
lowCpCoeffs ( 1.43132 0.0388552 -1.81079e-06 -3.07629e-08 1.68936e-11 -75484.1 23.1798 );
|
|
}
|
|
}
|
|
MgBr2(L)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 184.114;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 984;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.0272 0 0 0 0 -63633.8 -52.4664 );
|
|
lowCpCoeffs ( 12.0272 0 0 0 0 -63633.8 -52.4664 );
|
|
}
|
|
}
|
|
BCl+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 46.2635;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.12402 0.000436414 -1.54895e-07 2.59278e-11 -1.46603e-15 147121 2.54523 );
|
|
lowCpCoeffs ( 2.68536 0.00553183 -7.19657e-06 4.51432e-09 -1.10494e-12 147458 9.68829 );
|
|
}
|
|
}
|
|
CHNH2-__anion__H
|
|
{
|
|
specie
|
|
{
|
|
molWeight 29.0423;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.7312 0.00721958 -2.56066e-06 4.09745e-10 -2.43746e-14 39393.9 -0.834349 );
|
|
lowCpCoeffs ( 1.8202 0.0153201 -1.1192e-05 4.57191e-09 -7.44802e-13 40235.2 14.2819 );
|
|
}
|
|
}
|
|
CHBrCl2__FC-20B1
|
|
{
|
|
specie
|
|
{
|
|
molWeight 163.826;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 9.03435 0.00364051 -1.33591e-06 2.18843e-10 -1.32378e-14 -9395 -15.2806 );
|
|
lowCpCoeffs ( 2.90253 0.0248115 -2.93778e-05 1.68154e-08 -3.60708e-12 -7931.75 15.2927 );
|
|
}
|
|
}
|
|
Cu(cr)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 63.54;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 1358;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.42012 -0.00161214 3.05161e-06 -2.11172e-09 6.99877e-13 -990.304 -15.1934 );
|
|
lowCpCoeffs ( 1.76672 0.00734699 -1.54713e-05 1.5054e-08 -5.24861e-12 -743.882 -7.70454 );
|
|
}
|
|
}
|
|
CH2N-__H*C=NH_cis
|
|
{
|
|
specie
|
|
{
|
|
molWeight 28.0343;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.83331 0.00577826 -2.14455e-06 3.53675e-10 -2.14841e-14 27682.6 2.8473 );
|
|
lowCpCoeffs ( 4.15518 -0.00599364 3.07499e-05 -3.22131e-08 1.11009e-11 28199.1 4.02361 );
|
|
}
|
|
}
|
|
C4H7__1-meth-allyl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 55.1004;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.08107 0.0195527 -6.93149e-06 1.10889e-09 -6.59584e-14 12282.3 -16.7138 );
|
|
lowCpCoeffs ( 4.54747 0.00463771 6.6134e-05 -8.97457e-08 3.61716e-11 14384.3 7.30313 );
|
|
}
|
|
}
|
|
PH-
|
|
{
|
|
specie
|
|
{
|
|
molWeight 31.9818;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 300;
|
|
Thigh 4000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.91424 0.00168777 -7.57464e-07 1.58579e-10 -1.26772e-14 14968.8 6.82632 );
|
|
lowCpCoeffs ( 4.54067 -0.00517914 9.97164e-06 -7.20463e-09 1.8619e-12 14665.4 -0.920555 );
|
|
}
|
|
}
|
|
SF6
|
|
{
|
|
specie
|
|
{
|
|
molWeight 146.054;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 15.5708 0.00356271 -1.4071e-06 2.41523e-10 -1.50765e-14 -152276 -56.6147 );
|
|
lowCpCoeffs ( -3.84811 0.0833565 -0.00013215 9.99672e-08 -2.93724e-11 -148233 37.2013 );
|
|
}
|
|
}
|
|
CH3N__(H2C=NH)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 29.0418;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.44258 0.008376 -2.97819e-06 4.77353e-10 -2.84295e-14 8971.35 3.95595 );
|
|
lowCpCoeffs ( 4.79303 -0.0126842 5.69767e-05 -6.34985e-08 2.37023e-11 9413.86 1.10278 );
|
|
}
|
|
}
|
|
HAlO2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 59.9883;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.72667 0.00268102 -9.13403e-07 1.4241e-10 -8.3252e-15 -45097.7 -8.97899 );
|
|
lowCpCoeffs ( 2.60717 0.0163508 -1.69043e-05 7.16363e-09 -5.8892e-13 -44122 11.6079 );
|
|
}
|
|
}
|
|
HCN
|
|
{
|
|
specie
|
|
{
|
|
molWeight 27.0258;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.80232 0.0031463 -1.06316e-06 1.66185e-10 -9.79892e-15 14285 1.57502 );
|
|
lowCpCoeffs ( 2.25901 0.010051 -1.33515e-05 1.0092e-08 -3.0088e-12 14590.3 8.91632 );
|
|
}
|
|
}
|
|
AlO2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 58.9803;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.82788 0.000733106 -3.13759e-07 5.96366e-11 -3.91259e-15 -6862.26 -7.06433 );
|
|
lowCpCoeffs ( 4.34295 0.00865076 -8.91493e-06 3.12927e-09 9.49015e-14 -6256.26 5.43603 );
|
|
}
|
|
}
|
|
HOCl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 52.4604;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.35979 0.00206876 -6.79564e-07 1.02968e-10 -5.8876e-15 -10624.5 2.88328 );
|
|
lowCpCoeffs ( 3.55005 0.00228243 5.36552e-06 -9.86303e-09 4.5111e-12 -10348.5 7.43333 );
|
|
}
|
|
}
|
|
Na2O2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 77.9784;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 9.21957 0.000815028 -3.229e-07 5.5538e-11 -3.47172e-15 -17876.4 -18.3857 );
|
|
lowCpCoeffs ( 3.0597 0.0303187 -5.67612e-05 4.96461e-08 -1.64995e-11 -16754 10.4745 );
|
|
}
|
|
}
|
|
C12D10_Biphenyl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 164.275;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 29.8177 0.032449 -1.23508e-05 2.06974e-09 -1.27093e-13 3265.36 -136.507 );
|
|
lowCpCoeffs ( -5.89373 0.124809 -8.68839e-05 1.13987e-08 8.42835e-12 13597.8 49.8368 );
|
|
}
|
|
}
|
|
C4H7O2_MePropionat
|
|
{
|
|
specie
|
|
{
|
|
molWeight 87.0992;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.0003 0.0212124 -7.60895e-06 1.22313e-09 -7.29193e-14 -33023.4 -31.3295 );
|
|
lowCpCoeffs ( 5.43533 0.0206636 3.63773e-05 -6.19605e-08 2.62382e-11 -30312.5 7.05872 );
|
|
}
|
|
}
|
|
C6H11I_IodocyHexan
|
|
{
|
|
specie
|
|
{
|
|
molWeight 210.059;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 13.5565 0.0343152 -1.23553e-05 1.99767e-09 -1.19717e-13 -13408.1 -47.5545 );
|
|
lowCpCoeffs ( 4.95589 0.00624026 0.00013695 -1.85304e-07 7.45516e-11 -8647.49 9.04456 );
|
|
}
|
|
}
|
|
Cl-
|
|
{
|
|
specie
|
|
{
|
|
molWeight 35.4535;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.5 0 0 0 0 -28834 4.20063 );
|
|
lowCpCoeffs ( 2.5 0 0 0 0 -28834 4.20063 );
|
|
}
|
|
}
|
|
CF+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 31.009;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.67564 0.000853238 -3.05718e-07 4.9773e-11 -2.84073e-15 133444 2.84781 );
|
|
lowCpCoeffs ( 3.58302 -0.00186526 8.53751e-06 -9.32468e-09 3.33949e-12 133623 4.07366 );
|
|
}
|
|
}
|
|
FeS(G)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 87.911;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 3000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.14495 0.000705835 -5.16987e-07 1.86467e-10 -2.22684e-14 43300.2 6.46992 );
|
|
lowCpCoeffs ( 2.90286 0.00665546 -1.1499e-05 9.33241e-09 -2.89375e-12 43516 12.2605 );
|
|
}
|
|
}
|
|
Bi(CH3)2___HF298
|
|
{
|
|
specie
|
|
{
|
|
molWeight 239.05;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.71256 0.012791 -4.40202e-06 6.89479e-10 -4.03836e-14 28444.2 -14.1921 );
|
|
lowCpCoeffs ( 1.65003 0.0428822 -5.55775e-05 4.0689e-08 -1.18932e-11 29890.3 19.7206 );
|
|
}
|
|
}
|
|
C7H7_Quadri_Base
|
|
{
|
|
specie
|
|
{
|
|
molWeight 91.1338;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 13.702 0.0235155 -8.48401e-06 1.37418e-09 -8.24732e-14 62932.2 -53.1007 );
|
|
lowCpCoeffs ( -0.865668 0.0202947 0.000109981 -1.75784e-07 7.63992e-11 68615.1 31.45 );
|
|
}
|
|
}
|
|
CBrCl3_Bromotric
|
|
{
|
|
specie
|
|
{
|
|
molWeight 198.271;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 11.7792 0.00127391 -5.04454e-07 8.67357e-11 -5.42062e-15 -8923.64 -29.6726 );
|
|
lowCpCoeffs ( 2.8408 0.0425731 -7.69558e-05 6.54734e-08 -2.13015e-11 -7238.49 12.5268 );
|
|
}
|
|
}
|
|
CCl3F___FC-11
|
|
{
|
|
specie
|
|
{
|
|
molWeight 137.369;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 11.1914 0.00187182 -7.37587e-07 1.26418e-10 -7.88345e-15 -38772.4 -27.9829 );
|
|
lowCpCoeffs ( 1.78321 0.0415079 -6.83507e-05 5.43233e-08 -1.68195e-11 -36831.5 17.314 );
|
|
}
|
|
}
|
|
MnS___Solid
|
|
{
|
|
specie
|
|
{
|
|
molWeight 87.002;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 1803;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.73936 0.000901939 3.02741e-11 1.69143e-12 -5.47133e-16 -27513.9 -23.5654 );
|
|
lowCpCoeffs ( 5.73591 0.000912004 -1.77464e-08 2.06929e-11 -8.38202e-15 -27512.8 -23.5471 );
|
|
}
|
|
}
|
|
BrF3
|
|
{
|
|
specie
|
|
{
|
|
molWeight 136.896;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 9.20829 0.000830392 -3.29835e-07 5.68255e-11 -3.55627e-15 -33723.2 -17.6182 );
|
|
lowCpCoeffs ( 1.99379 0.0361698 -6.89697e-05 6.0928e-08 -2.03597e-11 -32445 15.997 );
|
|
}
|
|
}
|
|
HNCO_Isocyanic_Aci
|
|
{
|
|
specie
|
|
{
|
|
molWeight 43.0252;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.30045 0.00402251 -1.40962e-06 2.23855e-10 -1.325e-14 -16199.5 -3.11771 );
|
|
lowCpCoeffs ( 2.24009 0.01456 -1.54352e-05 8.55535e-09 -1.79632e-12 -15459 12.1664 );
|
|
}
|
|
}
|
|
NT_Tritium_Nitro
|
|
{
|
|
specie
|
|
{
|
|
molWeight 17.0306;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.9961 0.0016308 -6.66111e-07 1.26582e-10 -8.93609e-15 61512.6 5.40276 );
|
|
lowCpCoeffs ( 3.64942 -0.00135996 3.60684e-06 -2.00394e-09 1.86084e-13 61424 2.40553 );
|
|
}
|
|
}
|
|
B(S)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 10.811;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 2350;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 0.46524 0.0054134 -4.27395e-06 1.64079e-09 -2.36097e-13 -382.371 -3.49026 );
|
|
lowCpCoeffs ( -0.808653 0.00760878 3.61359e-06 -1.98166e-08 1.3282e-11 -96.1203 3.02871 );
|
|
}
|
|
}
|
|
C4H2__butadiyne
|
|
{
|
|
specie
|
|
{
|
|
molWeight 50.0605;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.68978 0.00669732 -2.34775e-06 3.72759e-10 -2.20555e-14 51994.3 -22.001 );
|
|
lowCpCoeffs ( -0.584768 0.0533507 -9.50806e-05 8.3796e-08 -2.80912e-11 53611.1 20.9879 );
|
|
}
|
|
}
|
|
P3O6
|
|
{
|
|
specie
|
|
{
|
|
molWeight 188.918;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 21.0155 0.00563933 -2.21376e-06 3.78517e-10 -2.35661e-14 -197123 -78.7319 );
|
|
lowCpCoeffs ( -2.06432 0.0967338 -0.000147414 1.09686e-07 -3.21448e-11 -192093 33.7984 );
|
|
}
|
|
}
|
|
P4O10
|
|
{
|
|
specie
|
|
{
|
|
molWeight 283.889;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 30.1427 0.0100855 -3.94745e-06 6.73667e-10 -4.18872e-14 -360778 -130.541 );
|
|
lowCpCoeffs ( -3.73125 0.136259 -0.000193514 1.35988e-07 -3.80889e-11 -353021 36.469 );
|
|
}
|
|
}
|
|
FeSO4(S)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 151.909;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 2000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 11.3772 0.0142498 -1.01198e-05 3.69419e-09 -5.16859e-13 -116094 -55.1857 );
|
|
lowCpCoeffs ( 1.36573 0.0529862 -7.03486e-05 4.90952e-08 -1.44139e-11 -113945 -6.31021 );
|
|
}
|
|
}
|
|
C2Br4
|
|
{
|
|
specie
|
|
{
|
|
molWeight 343.626;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 13.7363 0.00230038 -8.96872e-07 1.52691e-10 -9.47881e-15 18294.4 -33.2036 );
|
|
lowCpCoeffs ( 5.56029 0.0366495 -6.05261e-05 4.93948e-08 -1.57953e-11 20019 6.27252 );
|
|
}
|
|
}
|
|
MnS2_(S)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 119.066;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 700;
|
|
Tcommon 700;
|
|
highCpCoeffs 7 { 0 };
|
|
lowCpCoeffs ( 4.48569 0.0244442 -5.26857e-05 5.76754e-08 -2.41569e-11 -28983.1 -18.949 );
|
|
}
|
|
}
|
|
CH3-NH-NH-CH3_Sy
|
|
{
|
|
specie
|
|
{
|
|
molWeight 60.0995;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.19444 0.0219114 -7.91706e-06 1.27708e-09 -7.62826e-14 8515.92 -17.5013 );
|
|
lowCpCoeffs ( 5.41669 0.00250625 7.35471e-05 -9.60749e-08 3.79945e-11 10565.4 3.29279 );
|
|
}
|
|
}
|
|
DOBr
|
|
{
|
|
specie
|
|
{
|
|
molWeight 97.9144;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.76084 0.00201096 -7.26149e-07 1.17575e-10 -7.05123e-15 -9525.2 2.38688 );
|
|
lowCpCoeffs ( 2.84556 0.00941294 -1.19433e-05 7.78658e-09 -1.94555e-12 -9101.39 11.7521 );
|
|
}
|
|
}
|
|
P4O10(L)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 283.889;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 699;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 44.5005 0 0 0 0 -376552 -231.17 );
|
|
lowCpCoeffs ( 44.5005 0 0 0 0 -376552 -231.17 );
|
|
}
|
|
}
|
|
C3H6O_MeOxyrane
|
|
{
|
|
specie
|
|
{
|
|
molWeight 58.0807;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.01491 0.017392 -6.26028e-06 1.01188e-09 -6.06239e-14 -15198.1 -18.828 );
|
|
lowCpCoeffs ( 3.42807 0.00625177 6.13196e-05 -8.60387e-08 3.51371e-11 -12844.7 10.4245 );
|
|
}
|
|
}
|
|
C4__triplet
|
|
{
|
|
specie
|
|
{
|
|
molWeight 48.0446;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.82678 0.0058333 -2.15837e-06 3.43725e-10 -2.02424e-14 125415 -4.2123 );
|
|
lowCpCoeffs ( 3.68513 0.0184223 -3.11974e-05 2.9645e-08 -1.07298e-11 125759 5.42249 );
|
|
}
|
|
}
|
|
Si2H6__Disilane
|
|
{
|
|
specie
|
|
{
|
|
molWeight 62.2198;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 9.27971 0.0115439 -4.30501e-06 7.12124e-10 -4.3346e-14 5704.03 -24.6975 );
|
|
lowCpCoeffs ( 1.55261 0.0333463 -2.85791e-05 1.35479e-08 -2.68032e-12 7939.75 15.3948 );
|
|
}
|
|
}
|
|
FeO
|
|
{
|
|
specie
|
|
{
|
|
molWeight 71.8464;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.30997 6.81487e-05 3.94717e-08 -1.35506e-12 -4.52204e-16 28787.6 4.24936 );
|
|
lowCpCoeffs ( 3.15485 0.00179556 2.46261e-06 -5.8127e-09 2.81547e-12 29161 10.5228 );
|
|
}
|
|
}
|
|
C3H2F3_CF3-CH=CH*
|
|
{
|
|
specie
|
|
{
|
|
molWeight 95.0446;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.7774 0.00793163 -2.8875e-06 4.67652e-10 -2.80481e-14 -50230.6 -37.9661 );
|
|
lowCpCoeffs ( 0.681987 0.0469264 -4.86401e-05 2.2047e-08 -2.75415e-12 -47231.4 22.9561 );
|
|
}
|
|
}
|
|
Cl2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 70.906;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.74728 -0.000488582 2.68445e-07 -2.43476e-11 -1.03683e-15 -1511.02 -0.344539 );
|
|
lowCpCoeffs ( 2.73638 0.00783526 -1.45105e-05 1.25731e-08 -4.13247e-12 -1058.8 9.44557 );
|
|
}
|
|
}
|
|
Al2O+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 69.9619;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.94512 0.000575196 -2.26872e-07 3.8908e-11 -2.42729e-15 75830 -8.68735 );
|
|
lowCpCoeffs ( 4.09438 0.0120464 -1.86847e-05 1.39238e-08 -4.04999e-12 76436 5.1461 );
|
|
}
|
|
}
|
|
NOH
|
|
{
|
|
specie
|
|
{
|
|
molWeight 31.0141;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.00746 0.00241825 -8.13734e-07 1.25573e-10 -7.28063e-15 24396.6 4.01091 );
|
|
lowCpCoeffs ( 4.30796 -0.00501538 2.27055e-05 -2.65676e-08 1.02999e-11 24585 3.9301 );
|
|
}
|
|
}
|
|
OH+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 17.0068;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.68359 0.00157006 -5.39973e-07 9.37644e-11 -5.70068e-15 155479 6.44376 );
|
|
lowCpCoeffs ( 3.50503 0.000241314 -1.42201e-06 2.6478e-09 -1.17039e-12 155211 1.97908 );
|
|
}
|
|
}
|
|
N3H
|
|
{
|
|
specie
|
|
{
|
|
molWeight 43.0281;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.147 0.00430561 -1.52705e-06 2.46296e-10 -1.47144e-14 33166.9 -2.25529 );
|
|
lowCpCoeffs ( 2.88511 0.00944344 -3.87921e-06 -1.89402e-09 1.60183e-12 33855.7 9.71688 );
|
|
}
|
|
}
|
|
COH
|
|
{
|
|
specie
|
|
{
|
|
molWeight 29.0185;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.23892 0.00196576 -3.82075e-07 4.80138e-11 -3.11176e-15 24726.2 1.99698 );
|
|
lowCpCoeffs ( 4.36381 -0.00535204 2.31955e-05 -2.66109e-08 1.02712e-11 25010.9 2.98106 );
|
|
}
|
|
}
|
|
C4Cl2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 118.951;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 11.762 0.00449306 -1.68019e-06 2.78485e-10 -1.69757e-14 50545.1 -30.6261 );
|
|
lowCpCoeffs ( 3.66699 0.0435315 -7.95853e-05 7.22522e-08 -2.5029e-11 52098.2 7.46824 );
|
|
}
|
|
}
|
|
s-1,2,3,4-C6H2Cl4
|
|
{
|
|
specie
|
|
{
|
|
molWeight 215.895;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 20.5617 0.0126408 -4.71168e-06 7.79899e-10 -4.75159e-14 -9587.85 -75.9019 );
|
|
lowCpCoeffs ( 2.30087 0.0663435 -6.11121e-05 2.36355e-08 -1.94452e-12 -4712.68 17.5929 );
|
|
}
|
|
}
|
|
NITROETHYLENE
|
|
{
|
|
specie
|
|
{
|
|
molWeight 73.0517;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 10.066 0.0104933 -3.92097e-06 6.47759e-10 -3.9353e-14 -310.704 -26.1804 );
|
|
lowCpCoeffs ( 2.75931 0.0170704 2.37349e-05 -4.77969e-08 2.1479e-11 2296.29 14.656 );
|
|
}
|
|
}
|
|
C5H10,cyclo-
|
|
{
|
|
specie
|
|
{
|
|
molWeight 70.1355;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 9.13284 0.0301131 -1.09169e-05 1.77299e-09 -1.06575e-13 -15003.4 -29.2613 );
|
|
lowCpCoeffs ( 3.70339 -0.0115575 0.000164113 -2.0937e-07 8.31059e-11 -10938.9 11.9773 );
|
|
}
|
|
}
|
|
DOCl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 53.4665;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.6521 0.00211642 -7.66162e-07 1.24271e-10 -7.46211e-15 -11155.9 1.53476 );
|
|
lowCpCoeffs ( 3.0784 0.00637793 -3.60099e-06 -1.1413e-09 1.40512e-12 -10734.1 9.63009 );
|
|
}
|
|
}
|
|
PO2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 62.9726;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.27587 0.00180638 -7.50028e-07 1.40063e-10 -9.17507e-15 -35734.8 -0.574242 );
|
|
lowCpCoeffs ( 3.70338 0.00199857 8.62444e-06 -1.3448e-08 5.58471e-12 -35105 8.53959 );
|
|
}
|
|
}
|
|
NH2D
|
|
{
|
|
specie
|
|
{
|
|
molWeight 18.0367;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.46696 0.00615154 -2.08151e-06 3.22155e-10 -1.87071e-14 -6875.76 8.88442 );
|
|
lowCpCoeffs ( 4.42404 -0.00580704 2.35306e-05 -2.33891e-08 8.08193e-12 -7083.23 0.396549 );
|
|
}
|
|
}
|
|
C4H4O_Vin-KETENE
|
|
{
|
|
specie
|
|
{
|
|
molWeight 68.0759;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 9.7485 0.0137125 -5.0543e-06 8.25446e-10 -4.97385e-14 -1551.73 -24.0663 );
|
|
lowCpCoeffs ( 2.4507 0.0260087 1.37551e-06 -2.17963e-08 1.11438e-11 871.447 15.5763 );
|
|
}
|
|
}
|
|
NO
|
|
{
|
|
specie
|
|
{
|
|
molWeight 30.0061;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.26071 0.00119101 -4.29123e-07 6.94481e-11 -4.03296e-15 9921.43 6.36901 );
|
|
lowCpCoeffs ( 4.2186 -0.00463988 1.10443e-05 -9.34056e-09 2.80555e-12 9845.1 2.28061 );
|
|
}
|
|
}
|
|
NO2Cl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 81.4585;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 7.39739 0.00262883 -1.01084e-06 1.71262e-10 -1.05965e-14 -1159.32 -10.9635 );
|
|
lowCpCoeffs ( 2.39506 0.0192081 -2.34849e-05 1.51773e-08 -4.11948e-12 115.008 14.2744 );
|
|
}
|
|
}
|
|
C5H7_1,4-diene-3yl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 67.1115;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 10.1206 0.0219624 -8.13808e-06 1.32678e-09 -7.97014e-14 19730.5 -27.3862 );
|
|
lowCpCoeffs ( 2.3647 0.0239389 3.85165e-05 -7.0766e-08 3.11379e-11 22726.3 17.1124 );
|
|
}
|
|
}
|
|
MgBr2(cr)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 184.114;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 984;
|
|
Tcommon 500;
|
|
highCpCoeffs ( 7.06019 0.00918194 -1.2061e-05 8.7873e-09 -2.46739e-12 -65692.1 -28.4478 );
|
|
lowCpCoeffs ( 2.34605 0.0479269 -0.000133334 1.79817e-07 -9.39671e-11 -65225.6 -9.06114 );
|
|
}
|
|
}
|
|
FO
|
|
{
|
|
specie
|
|
{
|
|
molWeight 34.9978;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.10435 0.000322445 -6.01631e-08 -1.10999e-11 1.61567e-15 12059.4 2.35481 );
|
|
lowCpCoeffs ( 4.34438 -0.00537168 1.77167e-05 -2.00073e-08 7.67511e-12 12205.1 2.24949 );
|
|
}
|
|
}
|
|
C6H9I-3-iodo
|
|
{
|
|
specie
|
|
{
|
|
molWeight 208.043;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 13.7186 0.0288259 -1.03832e-05 1.67941e-09 -1.00675e-13 1284.92 -46.8653 );
|
|
lowCpCoeffs ( 3.97475 0.0142793 0.000103556 -1.4999e-07 6.192e-11 5835.6 13.0713 );
|
|
}
|
|
}
|
|
FeCl3
|
|
{
|
|
specie
|
|
{
|
|
molWeight 162.206;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 9.74444 0.000271085 -1.08391e-07 1.87561e-11 -1.17736e-15 -33416.9 -14.3408 );
|
|
lowCpCoeffs ( 5.63604 0.0240655 -5.25778e-05 5.10125e-08 -1.82116e-11 -32822.3 4.03392 );
|
|
}
|
|
}
|
|
NO3F
|
|
{
|
|
specie
|
|
{
|
|
molWeight 81.0033;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 9.81195 0.00356384 -1.54194e-06 2.76332e-10 -1.76583e-14 -1835.67 -22.9455 );
|
|
lowCpCoeffs ( 2.32519 0.0266016 -2.91416e-05 1.55905e-08 -3.2831e-12 156.667 15.2449 );
|
|
}
|
|
}
|
|
C22H18_(C10H7CH2)2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 282.389;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 41.7095 0.0700762 -2.74532e-05 4.95544e-09 -3.36934e-13 13003.7 -197.204 );
|
|
lowCpCoeffs ( -9.01278 0.205116 -0.000183057 1.10357e-07 -3.44709e-11 28550.4 69.335 );
|
|
}
|
|
}
|
|
C2HCl5
|
|
{
|
|
specie
|
|
{
|
|
molWeight 202.295;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 16.1889 0.00602756 -2.52298e-06 4.42668e-10 -2.78828e-14 -25186.1 -50.1366 );
|
|
lowCpCoeffs ( 3.85595 0.0456074 -4.99566e-05 2.45553e-08 -3.95376e-12 -22074.8 12.1374 );
|
|
}
|
|
}
|
|
C3H3+_CH2=C=CH+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 39.0568;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 7.32007 0.0078172 -2.83179e-06 4.59798e-10 -2.76383e-14 141521 -16.2678 );
|
|
lowCpCoeffs ( 1.5491 0.0233307 -1.70274e-05 4.66368e-09 2.21539e-13 143166 13.7174 );
|
|
}
|
|
}
|
|
CCl4
|
|
{
|
|
specie
|
|
{
|
|
molWeight 153.823;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 11.6219 0.00143588 -5.68084e-07 9.76194e-11 -6.09835e-15 -15355.4 -30.203 );
|
|
lowCpCoeffs ( 2.19699 0.0441047 -7.81537e-05 6.55174e-08 -2.10841e-11 -13542.4 14.4892 );
|
|
}
|
|
}
|
|
C2HBr
|
|
{
|
|
specie
|
|
{
|
|
molWeight 104.931;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.63844 0.00331215 -1.16133e-06 1.84423e-10 -1.09136e-14 30939.8 -8.55066 );
|
|
lowCpCoeffs ( 1.24164 0.0318599 -6.01324e-05 5.47764e-08 -1.87828e-11 31826.2 16.1625 );
|
|
}
|
|
}
|
|
N2H4_HYDRAZINE
|
|
{
|
|
specie
|
|
{
|
|
molWeight 32.0453;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.93957 0.00875017 -2.99399e-06 4.67278e-10 -2.73069e-14 9282.66 -2.6944 );
|
|
lowCpCoeffs ( 3.83472 -0.00064913 3.76848e-05 -5.00709e-08 2.03362e-11 10089.4 5.75272 );
|
|
}
|
|
}
|
|
RDX_135_Triazine
|
|
{
|
|
specie
|
|
{
|
|
molWeight 222.118;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 32.7885 0.0284393 -1.11822e-05 1.88281e-09 -1.1526e-13 9543.27 -142.802 );
|
|
lowCpCoeffs ( 1.4658 0.105297 -5.23365e-05 -2.7078e-08 2.44648e-11 18479.4 20.7952 );
|
|
}
|
|
}
|
|
C2H4O3_HOCH2COOH
|
|
{
|
|
specie
|
|
{
|
|
molWeight 76.0524;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.7663 0.0102143 -3.63547e-06 5.83492e-10 -3.4718e-14 -75352.9 -39.6512 );
|
|
lowCpCoeffs ( 2.80444 0.0210852 3.35863e-05 -7.02669e-08 3.26849e-11 -72065 15.1181 );
|
|
}
|
|
}
|
|
C14H9_1-Phenantr
|
|
{
|
|
specie
|
|
{
|
|
molWeight 177.228;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 26.8513 0.0376046 -1.45074e-05 2.57355e-09 -1.72326e-13 42303.9 -121.559 );
|
|
lowCpCoeffs ( -10.8336 0.14151 -0.00011443 3.59515e-08 0 52964.7 73.5362 );
|
|
}
|
|
}
|
|
HFCO+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 48.0169;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.1867 0.00444953 -1.63887e-06 2.69043e-10 -1.62951e-14 96478.1 -1.01182 );
|
|
lowCpCoeffs ( 3.04293 0.00544396 7.60915e-06 -1.32444e-08 5.39842e-12 97337.3 11.3291 );
|
|
}
|
|
}
|
|
C4H8S2_1,3_Dithi
|
|
{
|
|
specie
|
|
{
|
|
molWeight 120.236;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 13.7487 0.0237868 -8.64664e-06 1.40687e-09 -8.46779e-14 -6011 -48.3676 );
|
|
lowCpCoeffs ( 1.60567 0.0327219 4.42608e-05 -8.77308e-08 3.93535e-11 -1574.56 19.9775 );
|
|
}
|
|
}
|
|
ZnCO3_solid
|
|
{
|
|
specie
|
|
{
|
|
molWeight 125.379;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 500;
|
|
Tcommon 500;
|
|
highCpCoeffs 7 { 0 };
|
|
lowCpCoeffs ( 4.68344 0.0165778 7.32791e-08 -6.16513e-11 0 -12097 -21.7194 );
|
|
}
|
|
}
|
|
IO2__O-I-O
|
|
{
|
|
specie
|
|
{
|
|
molWeight 158.903;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.34102 0.000683348 -2.69576e-07 4.62346e-11 -2.88443e-15 17077.7 -2.88253 );
|
|
lowCpCoeffs ( 3.42631 0.0104247 -1.18836e-05 5.37821e-09 -5.4744e-13 17769 11.6761 );
|
|
}
|
|
}
|
|
CH2_SINGLET
|
|
{
|
|
specie
|
|
{
|
|
molWeight 14.0271;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.13502 0.00289594 -8.16668e-07 1.13573e-10 -6.36263e-15 50504.1 4.06031 );
|
|
lowCpCoeffs ( 4.19331 -0.00233105 8.15676e-06 -6.62986e-09 1.93233e-12 50366.2 -0.746734 );
|
|
}
|
|
}
|
|
CHON3_FormilAzide
|
|
{
|
|
specie
|
|
{
|
|
molWeight 71.0386;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.23068 0.00723771 -2.67839e-06 4.41021e-10 -2.67659e-14 16388 -15.3377 );
|
|
lowCpCoeffs ( 3.33798 0.0162333 -1.42596e-06 -1.06068e-08 5.66569e-12 17988.9 11.0975 );
|
|
}
|
|
}
|
|
C12H26O_1-dodeca
|
|
{
|
|
specie
|
|
{
|
|
molWeight 186.34;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 32.7701 0.0680649 -2.55409e-05 4.50916e-09 -3.02763e-13 -69622.2 -133.53 );
|
|
lowCpCoeffs ( 7.08893 0.0860583 6.62159e-05 -1.41733e-07 6.14412e-11 -59311.6 13.3084 );
|
|
}
|
|
}
|
|
KO
|
|
{
|
|
specie
|
|
{
|
|
molWeight 55.1014;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.88654 -0.000759554 5.60051e-07 -1.15493e-10 6.95256e-15 6261.91 1.15273 );
|
|
lowCpCoeffs ( 2.98486 0.00785706 -1.61612e-05 1.52066e-08 -5.30884e-12 6661.67 10.2547 );
|
|
}
|
|
}
|
|
Mn
|
|
{
|
|
specie
|
|
{
|
|
molWeight 54.938;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 1.9473 0.0011415 -7.72943e-07 1.98014e-10 -1.38692e-14 33412.2 9.64974 );
|
|
lowCpCoeffs ( 2.5 -6.63274e-10 2.35888e-12 -3.40703e-15 1.70111e-18 33219.3 6.64938 );
|
|
}
|
|
}
|
|
C10H20_1-Decene
|
|
{
|
|
specie
|
|
{
|
|
molWeight 140.271;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 24.3785 0.053388 -1.99613e-05 3.50082e-09 -2.33454e-13 -27299.8 -94.9537 );
|
|
lowCpCoeffs ( 3.47605 0.0765121 2.93697e-05 -8.88009e-08 4.03373e-11 -19441.8 22.2701 );
|
|
}
|
|
}
|
|
ZrN(cr)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 105.227;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 3225;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.99766 0.00178678 -5.99932e-07 1.7162e-10 -1.82544e-14 -46279.1 -24.4796 );
|
|
lowCpCoeffs ( -1.60329 0.0435534 -0.000102727 1.12384e-07 -4.61701e-11 -45399.9 4.48755 );
|
|
}
|
|
}
|
|
AlF
|
|
{
|
|
specie
|
|
{
|
|
molWeight 45.9799;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.13314 0.00045497 -1.67977e-07 2.93497e-11 -1.31792e-15 -33085 2.02276 );
|
|
lowCpCoeffs ( 2.99394 0.00347658 -1.8105e-06 -1.43531e-09 1.22346e-12 -32787.9 7.8738 );
|
|
}
|
|
}
|
|
CF3O2_CF3O-O*
|
|
{
|
|
specie
|
|
{
|
|
molWeight 101.005;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 3000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.202 0.00346102 -1.38113e-06 2.34249e-10 -1.44329e-14 -81091.9 -33.813 );
|
|
lowCpCoeffs ( 1.61124 0.0376111 -4.16838e-05 1.98121e-08 -2.84904e-12 -78469.6 19.5292 );
|
|
}
|
|
}
|
|
C4H7__tt-1buten-
|
|
{
|
|
specie
|
|
{
|
|
molWeight 55.1004;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.15646 0.0190309 -6.73262e-06 1.07333e-09 -6.36886e-14 25582.6 -16.1429 );
|
|
lowCpCoeffs ( 4.19858 0.0119617 4.23865e-05 -6.30299e-08 2.59475e-11 27525.7 8.57181 );
|
|
}
|
|
}
|
|
C15H30O2_memyrist
|
|
{
|
|
specie
|
|
{
|
|
molWeight 242.405;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 35.4129 0.0907345 -3.53829e-05 6.31259e-09 -4.23208e-13 -97822.7 -147.847 );
|
|
lowCpCoeffs ( 7.8484 0.110121 7.35332e-05 -1.69449e-07 7.44658e-11 -87294 8.49935 );
|
|
}
|
|
}
|
|
CD2O_Deutherofor
|
|
{
|
|
specie
|
|
{
|
|
molWeight 32.0388;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.5438 0.0052598 -1.98609e-06 3.31196e-10 -2.02707e-14 -15767.8 -1.13269 );
|
|
lowCpCoeffs ( 4.16836 -0.00570482 3.41174e-05 -3.87223e-08 1.42698e-11 -15039.2 3.81897 );
|
|
}
|
|
}
|
|
MgI2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 278.121;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 7.35081 0.00016122 -6.52558e-08 1.1386e-11 -7.18977e-16 -22882.4 -4.26654 );
|
|
lowCpCoeffs ( 5.47324 0.0105458 -2.22792e-05 2.12039e-08 -7.48636e-12 -22593.5 4.23281 );
|
|
}
|
|
}
|
|
C2Cl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 59.4753;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.62345 0.00181046 -6.8415e-07 1.14161e-10 -6.99084e-15 62345.7 -3.76842 );
|
|
lowCpCoeffs ( 2.56698 0.0160823 -2.88794e-05 2.62378e-08 -9.15075e-12 62962.5 10.7488 );
|
|
}
|
|
}
|
|
C10H20_CycloDecan
|
|
{
|
|
specie
|
|
{
|
|
molWeight 140.271;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 18.4412 0.0619691 -2.22815e-05 3.59908e-09 -2.15535e-13 -29830.7 -82.9717 );
|
|
lowCpCoeffs ( 7.46866 0.000493585 0.000247935 -3.20472e-07 1.26087e-10 -22435.4 -4.36101 );
|
|
}
|
|
}
|
|
CHI3__IODOFORM
|
|
{
|
|
specie
|
|
{
|
|
molWeight 393.732;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 9.68729 0.00299956 -1.09071e-06 1.77575e-10 -1.06949e-14 22087.7 -13.8894 );
|
|
lowCpCoeffs ( 4.17737 0.024774 -3.54748e-05 2.54963e-08 -7.20983e-12 23281.9 12.9496 );
|
|
}
|
|
}
|
|
Mn3O4__Solid-A
|
|
{
|
|
specie
|
|
{
|
|
molWeight 228.812;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 1445;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 9.24691 0.0303098 -2.77876e-05 1.42175e-08 -2.74343e-12 -170540 -41.3241 );
|
|
lowCpCoeffs ( 5.30993 0.0645031 -0.000112104 9.70819e-08 -3.15482e-11 -170550 -26.584 );
|
|
}
|
|
}
|
|
Bi2O3
|
|
{
|
|
specie
|
|
{
|
|
molWeight 465.958;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 11.8018 0.00125888 -5.00532e-07 8.62904e-11 -5.4027e-15 41438.3 -27.3218 );
|
|
lowCpCoeffs ( 0.192392 0.0588477 -0.000113412 1.00869e-07 -3.38566e-11 43464.9 26.6082 );
|
|
}
|
|
}
|
|
C5H4N__linear_Ra
|
|
{
|
|
specie
|
|
{
|
|
molWeight 78.0943;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 11.7574 0.0138995 -4.96375e-06 7.9519e-10 -4.73266e-14 55621.7 -31.6349 );
|
|
lowCpCoeffs ( 2.68687 0.0353836 -1.44995e-05 -1.0329e-08 8.19906e-12 58260.5 15.9522 );
|
|
}
|
|
}
|
|
P(cr)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 30.9738;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 195.4;
|
|
Thigh 317.3;
|
|
Tcommon 317.3;
|
|
highCpCoeffs 7 { 0 };
|
|
lowCpCoeffs ( 0.80247 0.0185779 -8.34081e-05 2.11105e-07 -2.09659e-10 -646.363 -2.91281 );
|
|
}
|
|
}
|
|
C20H34O2_EtLinolen
|
|
{
|
|
specie
|
|
{
|
|
molWeight 306.493;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 42.507 0.108762 -4.24956e-05 7.59544e-09 -5.09975e-13 -68835.4 -175.816 );
|
|
lowCpCoeffs ( -1.55255 0.206733 -9.01041e-05 -2.34325e-08 2.40476e-11 -55046.1 58.4515 );
|
|
}
|
|
}
|
|
C4F6_1,3-Butadiene
|
|
{
|
|
specie
|
|
{
|
|
molWeight 162.035;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 20.0973 0.00755273 -3.05215e-06 5.3009e-10 -3.33124e-14 -128330 -72.0589 );
|
|
lowCpCoeffs ( 0.399558 0.078074 -0.000109046 7.94832e-08 -2.38161e-11 -123544 26.1119 );
|
|
}
|
|
}
|
|
NCN+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 40.024;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.42256 0.0020389 -7.78368e-07 1.30725e-10 -8.04002e-15 198801 -4.40261 );
|
|
lowCpCoeffs ( 4.44042 0.00219978 3.66592e-06 -5.57559e-09 2.07525e-12 199232 1.38005 );
|
|
}
|
|
}
|
|
MgOH+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 41.3188;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.31327 0.00159814 -4.95356e-07 7.16396e-11 -3.94744e-15 72354.4 -4.31651 );
|
|
lowCpCoeffs ( 1.73498 0.0195552 -3.42887e-05 2.82993e-08 -8.81709e-12 72924.3 12.1351 );
|
|
}
|
|
}
|
|
Zn3N2_solid
|
|
{
|
|
specie
|
|
{
|
|
molWeight 224.123;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 700;
|
|
Tcommon 700;
|
|
highCpCoeffs 7 { 0 };
|
|
lowCpCoeffs ( 21.7717 -0.0841848 0.000273215 -3.41625e-07 1.57569e-10 -7280.95 -95.2996 );
|
|
}
|
|
}
|
|
BO2-
|
|
{
|
|
specie
|
|
{
|
|
molWeight 42.8103;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.21232 0.00224023 -8.54288e-07 1.43391e-10 -8.81607e-15 -87810.4 -4.9116 );
|
|
lowCpCoeffs ( 1.93788 0.0132287 -1.60976e-05 1.05724e-08 -2.90867e-12 -86976.4 11.5891 );
|
|
}
|
|
}
|
|
O2+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 31.9983;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.31676 0.00111522 -3.83493e-07 5.72785e-11 -2.77648e-15 139877 5.44726 );
|
|
lowCpCoeffs ( 4.61017 -0.00635952 1.42426e-05 -1.20998e-08 3.70957e-12 139742 -0.201327 );
|
|
}
|
|
}
|
|
C22H14_Pentafene
|
|
{
|
|
specie
|
|
{
|
|
molWeight 278.357;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 36.1985 0.0700125 -2.89502e-05 5.43945e-09 -3.81596e-13 23431.8 -175.725 );
|
|
lowCpCoeffs ( -3.8906 0.118589 8.58496e-05 -2.22382e-07 1.04152e-10 37014.6 45.0315 );
|
|
}
|
|
}
|
|
Cr2FeO4
|
|
{
|
|
specie
|
|
{
|
|
molWeight 223.837;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 2123;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 15.5565 0.0109205 -6.7846e-06 2.55612e-09 -3.64831e-13 -180620 -75.0507 );
|
|
lowCpCoeffs ( -1.86852 0.10479 -0.000195035 1.68862e-07 -5.48639e-11 -178056 3.76236 );
|
|
}
|
|
}
|
|
ND2H
|
|
{
|
|
specie
|
|
{
|
|
molWeight 19.0429;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.8677 0.00612085 -2.14513e-06 3.40382e-10 -2.01261e-14 -7553.72 6.89502 );
|
|
lowCpCoeffs ( 4.2775 -0.00494603 2.36611e-05 -2.44174e-08 8.58847e-12 -7564.45 1.42065 );
|
|
}
|
|
}
|
|
C3H3_CH2(CH=C*)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 39.0574;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 39;
|
|
highCpCoeffs ( 5.92612 0.00876874 -3.10582e-06 4.96671e-10 -2.95379e-14 60411.2 -6.89606 );
|
|
lowCpCoeffs ( 2.0892 0.0101086 2.03244e-05 -3.70403e-08 1.65743e-11 61831.6 14.9149 );
|
|
}
|
|
}
|
|
CF-
|
|
{
|
|
specie
|
|
{
|
|
molWeight 31.0101;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.14354 0.000445213 -1.41154e-07 2.52972e-11 -1.54291e-15 22463.5 0.815123 );
|
|
lowCpCoeffs ( 2.67417 0.00577946 -7.7641e-06 5.08964e-09 -1.30782e-12 22801.9 8.08085 );
|
|
}
|
|
}
|
|
C5H8Cl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 103.573;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 14.3283 0.0208392 -7.49364e-06 1.20797e-09 -7.21763e-14 12701.2 -42.2055 );
|
|
lowCpCoeffs ( 3.44156 0.03483 2.10911e-05 -5.81095e-08 2.75564e-11 16367.9 17.5793 );
|
|
}
|
|
}
|
|
s-1,2,3,C6H3Cl3_1,
|
|
{
|
|
specie
|
|
{
|
|
molWeight 181.45;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 18.0719 0.01468 -5.40217e-06 8.86736e-10 -5.37158e-14 -6568.64 -65.7404 );
|
|
lowCpCoeffs ( 1.70752 0.0552757 -3.01609e-05 -8.60678e-09 9.96729e-12 -1879.99 19.7436 );
|
|
}
|
|
}
|
|
HCOOH_FORMIC_ACID
|
|
{
|
|
specie
|
|
{
|
|
molWeight 46.0259;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.61383 0.00644964 -2.29083e-06 3.6716e-10 -2.18737e-14 -47514.8 0.847884 );
|
|
lowCpCoeffs ( 3.89836 -0.00355878 3.55205e-05 -4.385e-08 1.71078e-11 -46770.6 7.34954 );
|
|
}
|
|
}
|
|
GeS2(L)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 136.718;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 1113;
|
|
Thigh 6000;
|
|
Tcommon 1113;
|
|
highCpCoeffs ( 12.0272 0 0 0 0 -19696.5 -60.0645 );
|
|
lowCpCoeffs 7 { 0 };
|
|
}
|
|
}
|
|
I2(L)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 253.809;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 386.75;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 9.56821 0 0 0 0 -1204.52 -36.3734 );
|
|
lowCpCoeffs ( 9.56821 0 0 0 0 -1204.52 -36.3734 );
|
|
}
|
|
}
|
|
C6H12O2_Caproic_ac
|
|
{
|
|
specie
|
|
{
|
|
molWeight 116.161;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 14.6942 0.0369222 -1.32904e-05 2.14754e-09 -1.28619e-13 -67691.1 -47.6097 );
|
|
lowCpCoeffs ( 8.60061 6.85615e-05 0.000144867 -1.86132e-07 7.29408e-11 -63433.8 -3.24945 );
|
|
}
|
|
}
|
|
K(cr)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 39.102;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 336.86;
|
|
Tcommon 200;
|
|
highCpCoeffs 7 { 0 };
|
|
lowCpCoeffs ( -2.08951 0.061632 -0.000240732 3.27256e-07 0 -636.098 9.11737 );
|
|
}
|
|
}
|
|
AlO2-
|
|
{
|
|
specie
|
|
{
|
|
molWeight 58.9808;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.51659 0.00101736 -4.00787e-07 6.86802e-11 -4.28232e-15 -56637.3 -10.3031 );
|
|
lowCpCoeffs ( 1.83569 0.0194564 -2.94522e-05 2.15158e-08 -6.15815e-12 -55623.1 12.5075 );
|
|
}
|
|
}
|
|
N3-_anion
|
|
{
|
|
specie
|
|
{
|
|
molWeight 42.0206;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.7355 0.00267431 -1.01222e-06 1.69075e-10 -1.03605e-14 20428.1 -2.69431 );
|
|
lowCpCoeffs ( 2.24781 0.0096281 -8.68931e-06 4.35991e-09 -9.90199e-13 21146.2 10.2229 );
|
|
}
|
|
}
|
|
C6H14,n-hexane
|
|
{
|
|
specie
|
|
{
|
|
molWeight 86.1785;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 19.5158 0.0267754 -7.49784e-06 1.19511e-09 -7.51957e-14 -29436.2 -77.4895 );
|
|
lowCpCoeffs ( 9.87121 -0.00936699 0.000169888 -2.1502e-07 8.45407e-11 -23718.5 -12.4999 );
|
|
}
|
|
}
|
|
CH2O2-_CH2OO-
|
|
{
|
|
specie
|
|
{
|
|
molWeight 46.0264;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.35131 0.0072744 -2.72493e-06 4.52118e-10 -2.75784e-14 2987.26 -3.01671 );
|
|
lowCpCoeffs ( 2.68909 0.00475692 1.93234e-05 -2.64885e-08 1.00444e-11 4279.54 13.3288 );
|
|
}
|
|
}
|
|
C13H26O2_Me-ester
|
|
{
|
|
specie
|
|
{
|
|
molWeight 214.351;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 30.3082 0.0796192 -3.11051e-05 5.56126e-09 -3.73686e-13 -90508.1 -122.081 );
|
|
lowCpCoeffs ( 5.61936 0.105867 3.73366e-05 -1.19494e-07 5.45579e-11 -81479.6 15.8697 );
|
|
}
|
|
}
|
|
Mg(OH)2(L)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 58.3267;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 1100;
|
|
Thigh 6000;
|
|
Tcommon 1100;
|
|
highCpCoeffs ( 73.7917 -0.201203 0.00013836 -3.32399e-08 2.60535e-12 -121366 -311.728 );
|
|
lowCpCoeffs 7 { 0 };
|
|
}
|
|
}
|
|
C3HN_Cyano-Acety
|
|
{
|
|
specie
|
|
{
|
|
molWeight 51.0481;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 7.44515 0.00527108 -1.86735e-06 2.98684e-10 -1.77665e-14 41645 -14.6187 );
|
|
lowCpCoeffs ( 0.587779 0.0384323 -6.61567e-05 5.72556e-08 -1.89893e-11 42906.6 17.4909 );
|
|
}
|
|
}
|
|
TNT____Solid_Yin
|
|
{
|
|
specie
|
|
{
|
|
molWeight 227.134;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 290;
|
|
Thigh 353.8;
|
|
Tcommon 353;
|
|
highCpCoeffs 7 { 0 };
|
|
lowCpCoeffs ( 4763.23 -66.2926 0.345484 -0.000795965 6.85394e-07 -283974 -17017.2 );
|
|
}
|
|
}
|
|
C7H15__Neoheptyl-1
|
|
{
|
|
specie
|
|
{
|
|
molWeight 99.1976;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 15.2666 0.0400128 -1.43007e-05 2.2937e-09 -1.36515e-13 -7341.25 -50.32 );
|
|
lowCpCoeffs ( 5.41276 0.0418557 4.16682e-05 -8.03991e-08 3.45983e-11 -3338.95 6.80085 );
|
|
}
|
|
}
|
|
C7H6O2_C6H5-COOH
|
|
{
|
|
specie
|
|
{
|
|
molWeight 122.125;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 16.1565 0.023667 -8.61709e-06 1.40139e-09 -8.42751e-14 -43570.3 -59.2512 );
|
|
lowCpCoeffs ( 1.61115 0.0347975 5.39576e-05 -1.04489e-07 4.66465e-11 -38321.9 22.421 );
|
|
}
|
|
}
|
|
ZrO2(L)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 123.219;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 2983;
|
|
Thigh 6000;
|
|
Tcommon 2983;
|
|
highCpCoeffs ( 12.0272 0 0 0 0 -130198 -65.0507 );
|
|
lowCpCoeffs 7 { 0 };
|
|
}
|
|
}
|
|
CH3NH_radical
|
|
{
|
|
specie
|
|
{
|
|
molWeight 30.0497;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.02244 0.0103512 -3.6456e-06 5.80492e-10 -3.44104e-14 19505.1 1.64484 );
|
|
lowCpCoeffs ( 4.70974 -0.00731947 4.95106e-05 -5.7279e-08 2.16524e-11 20061.9 1.8546 );
|
|
}
|
|
}
|
|
C4H4N2_SUCCINONITR
|
|
{
|
|
specie
|
|
{
|
|
molWeight 80.0899;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 11.4626 0.0143426 -5.26374e-06 8.61141e-10 -5.20073e-14 20296.3 -32.3404 );
|
|
lowCpCoeffs ( 2.92554 0.0274518 9.39909e-06 -3.65605e-08 1.81347e-11 23109.2 14.1182 );
|
|
}
|
|
}
|
|
C3HCl2OH
|
|
{
|
|
specie
|
|
{
|
|
molWeight 124.955;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.4074 0.00797732 -2.84599e-06 4.57802e-10 -2.73525e-14 -5202.99 -31.5882 );
|
|
lowCpCoeffs ( 3.1571 0.0399226 -4.67896e-05 2.89518e-08 -7.27289e-12 -2951.93 14.6502 );
|
|
}
|
|
}
|
|
NOCl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 65.4591;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.17975 0.000286794 1.72637e-07 -3.01425e-11 9.00333e-16 4245.08 -4.3225 );
|
|
lowCpCoeffs ( 3.23254 0.011888 -2.10712e-05 1.95534e-08 -6.99286e-12 4975.8 10.2773 );
|
|
}
|
|
}
|
|
BI
|
|
{
|
|
specie
|
|
{
|
|
molWeight 137.715;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.13256 0.000665292 -4.10621e-07 1.14271e-10 -8.94354e-15 37917.5 4.25559 );
|
|
lowCpCoeffs ( 2.73092 0.00758475 -1.3626e-05 1.15118e-08 -3.70884e-12 38155.1 10.7518 );
|
|
}
|
|
}
|
|
C4H7O2_Butyrat
|
|
{
|
|
specie
|
|
{
|
|
molWeight 87.0992;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.1751 0.0212749 -7.89117e-06 1.29148e-09 -7.78401e-14 -33946.8 -32.7173 );
|
|
lowCpCoeffs ( 6.22878 0.00468404 8.48457e-05 -1.15186e-07 4.61996e-11 -30753.5 5.83732 );
|
|
}
|
|
}
|
|
Mg3N2(cr)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 100.949;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 13.0542 0.00281391 -8.45533e-07 1.75181e-10 -1.31691e-14 -59839.7 -65.8385 );
|
|
lowCpCoeffs ( -4.07137 0.0893799 -0.0001688 1.46179e-07 -4.75023e-11 -57015.2 13.0766 );
|
|
}
|
|
}
|
|
CBr3__Radical
|
|
{
|
|
specie
|
|
{
|
|
molWeight 251.714;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 9.23234 0.000799417 -3.16167e-07 5.43172e-11 -3.39267e-15 24956.1 -13.4097 );
|
|
lowCpCoeffs ( 4.24875 0.0227424 -3.912e-05 3.19712e-08 -1.00758e-11 25938.1 10.3538 );
|
|
}
|
|
}
|
|
ClF5
|
|
{
|
|
specie
|
|
{
|
|
molWeight 130.445;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 14.1818 0.00190545 -7.56487e-07 1.3029e-10 -8.15214e-15 -33391.2 -45.1433 );
|
|
lowCpCoeffs ( -1.94346 0.0805257 -0.000152946 1.3479e-07 -4.49741e-11 -30518.2 30.0754 );
|
|
}
|
|
}
|
|
C5F12__FC_41-12
|
|
{
|
|
specie
|
|
{
|
|
molWeight 288.037;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 36.6674 0.0111436 -4.67073e-06 8.64343e-10 -5.88664e-14 -319521 -150.591 );
|
|
lowCpCoeffs ( 0.416513 0.127856 -0.000144647 7.48095e-08 -1.45346e-11 -310558 32.0671 );
|
|
}
|
|
}
|
|
C20H10__CORANNUL
|
|
{
|
|
specie
|
|
{
|
|
molWeight 250.303;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 30.6658 0.05296 -1.95067e-05 3.20305e-09 -1.94054e-13 40171.9 -149.703 );
|
|
lowCpCoeffs ( -3.53753 0.0875243 8.69002e-05 -1.87189e-07 8.34303e-11 52497.3 41.3548 );
|
|
}
|
|
}
|
|
C4H7O_2-butyralde
|
|
{
|
|
specie
|
|
{
|
|
molWeight 71.0998;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 10.5968 0.0193389 -6.93658e-06 1.1114e-09 -6.60574e-14 -6295.02 -24.7982 );
|
|
lowCpCoeffs ( 4.53555 0.022154 2.38721e-05 -4.74854e-08 2.09682e-11 -3968.54 9.79244 );
|
|
}
|
|
}
|
|
Po_Polonium
|
|
{
|
|
specie
|
|
{
|
|
molWeight 210;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.51152 -2.97671e-05 1.88274e-08 -4.3595e-14 -7.68039e-17 21143.2 8.40559 );
|
|
lowCpCoeffs ( 2.49787 1.18684e-05 -1.76236e-08 3.99361e-12 4.35072e-15 21146.3 8.47401 );
|
|
}
|
|
}
|
|
D2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 4.0282;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.73069 0.00148005 -4.79315e-07 7.89496e-11 -4.88381e-15 -795.268 1.64266 );
|
|
lowCpCoeffs ( 3.49547 0.000258348 -1.31763e-06 2.42912e-09 -1.05982e-12 -1046.32 -2.51906 );
|
|
}
|
|
}
|
|
COF2+__cation
|
|
{
|
|
specie
|
|
{
|
|
molWeight 66.0068;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.82296 0.00317809 -1.2273e-06 2.07655e-10 -1.28362e-14 76438.2 -9.31953 );
|
|
lowCpCoeffs ( 2.38575 0.0148408 -1.16859e-05 3.4338e-09 -5.83421e-15 77722.4 13.8211 );
|
|
}
|
|
}
|
|
Mg
|
|
{
|
|
specie
|
|
{
|
|
molWeight 24.312;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.31664 0.000365866 -2.33228e-07 5.37118e-11 -2.99513e-15 17011.9 4.6345 );
|
|
lowCpCoeffs ( 2.5 0 0 0 0 16946.6 3.63433 );
|
|
}
|
|
}
|
|
s-(CH3)2N-NH*
|
|
{
|
|
specie
|
|
{
|
|
molWeight 59.0915;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 7.94122 0.0196087 -7.1165e-06 1.15466e-09 -6.9305e-14 20969.1 -17.1913 );
|
|
lowCpCoeffs ( 3.09065 0.0173629 3.01166e-05 -4.98285e-08 2.07771e-11 23108 11.7273 );
|
|
}
|
|
}
|
|
C10H8_Naphthalene
|
|
{
|
|
specie
|
|
{
|
|
molWeight 128.175;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 18.613 0.0304494 -1.11225e-05 1.81615e-09 -1.09601e-13 8915.79 -80.023 );
|
|
lowCpCoeffs ( -1.04919 0.0462971 7.07592e-05 -1.38408e-07 6.20475e-11 15984.9 30.2122 );
|
|
}
|
|
}
|
|
IO
|
|
{
|
|
specie
|
|
{
|
|
molWeight 142.904;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.43373 0.000812521 -3.07328e-07 6.49187e-11 -1.6464e-15 13622.6 2.96745 );
|
|
lowCpCoeffs ( 2.90243 0.00516413 -6.69837e-06 5.78794e-09 -2.15395e-12 14108.1 11.0196 );
|
|
}
|
|
}
|
|
MgO(L)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 40.3114;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 3100;
|
|
Thigh 6000;
|
|
Tcommon 3100;
|
|
highCpCoeffs ( 10.1028 0 0 0 0 -90420.8 -70.8232 );
|
|
lowCpCoeffs 7 { 0 };
|
|
}
|
|
}
|
|
Fe.947O(S)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 71.8464;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 1652;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 1.81589 0.0170743 -2.39919e-05 1.5369e-08 -3.53442e-12 -33024 -7.30741 );
|
|
lowCpCoeffs ( 3.68766 0.0109133 -1.61179e-05 1.06449e-08 -2.39515e-12 -33486.8 -16.7233 );
|
|
}
|
|
}
|
|
HNO
|
|
{
|
|
specie
|
|
{
|
|
molWeight 31.0141;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.16598 0.00299959 -3.94377e-07 -3.85344e-11 7.07603e-15 11772.6 7.64511 );
|
|
lowCpCoeffs ( 4.53526 -0.00568543 1.85199e-05 -1.71881e-08 5.55818e-12 11618.3 1.74316 );
|
|
}
|
|
}
|
|
N3+_cation
|
|
{
|
|
specie
|
|
{
|
|
molWeight 42.0196;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.482 0.00201665 -7.78258e-07 1.31617e-10 -8.1332e-15 181240 -6.06986 );
|
|
lowCpCoeffs ( 3.67012 0.00459807 1.39108e-06 -5.02695e-09 2.21156e-12 181884 3.94468 );
|
|
}
|
|
}
|
|
C2N2Hg_(CN)2Hg
|
|
{
|
|
specie
|
|
{
|
|
molWeight 252.626;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 9.40308 0.00323546 -1.16876e-06 1.89238e-10 -1.13472e-14 -47756.9 -13.5033 );
|
|
lowCpCoeffs ( 4.39103 0.0364693 -8.11856e-05 8.22233e-08 -3.02504e-11 -47150.2 8.10842 );
|
|
}
|
|
}
|
|
C6H5F_Fluorobenz
|
|
{
|
|
specie
|
|
{
|
|
molWeight 96.1052;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.7114 0.0191511 -6.93687e-06 1.12661e-09 -6.77422e-14 -19921.9 -44.8965 );
|
|
lowCpCoeffs ( 0.262732 0.0308486 3.97361e-05 -8.20741e-08 3.72111e-11 -15535.2 24.4755 );
|
|
}
|
|
}
|
|
C18H34O2_EtPalmOle
|
|
{
|
|
specie
|
|
{
|
|
molWeight 282.47;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 39.8725 0.105421 -4.11172e-05 7.33853e-09 -4.92284e-13 -93846.9 -162.344 );
|
|
lowCpCoeffs ( -0.97472 0.193093 -7.34288e-05 -3.61881e-08 2.83592e-11 -80953.9 55.4851 );
|
|
}
|
|
}
|
|
NH4+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 18.038;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 1.3157 0.00964927 -3.2905e-06 5.12045e-10 -2.98499e-14 75820 12.0931 );
|
|
lowCpCoeffs ( 5.02209 -0.0117099 3.976e-05 -3.6942e-08 1.20265e-11 75395.3 -4.20523 );
|
|
}
|
|
}
|
|
C12H_linear
|
|
{
|
|
specie
|
|
{
|
|
molWeight 145.142;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 23.0806 0.0134206 -4.96333e-06 8.16923e-10 -4.95655e-14 192591 -82.9344 );
|
|
lowCpCoeffs ( 1.27723 0.12098 -0.000223987 2.0618e-07 -7.21455e-11 196701 19.1996 );
|
|
}
|
|
}
|
|
CH3SS_radical
|
|
{
|
|
specie
|
|
{
|
|
molWeight 79.1631;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 7.07609 0.00721532 -2.526e-06 4.00583e-10 -2.36782e-14 6907.48 -7.98626 );
|
|
lowCpCoeffs ( 3.00869 0.0180541 -9.84779e-06 -2.12495e-09 3.05225e-12 8012.28 13.0053 );
|
|
}
|
|
}
|
|
Ni
|
|
{
|
|
specie
|
|
{
|
|
molWeight 58.71;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.26365 -0.000307959 3.17844e-08 3.20017e-12 -1.59349e-16 50681.9 3.20617 );
|
|
lowCpCoeffs ( 3.17256 -0.00368116 1.18225e-05 -1.34699e-08 5.14646e-12 50868.3 4.51756 );
|
|
}
|
|
}
|
|
CYCLOPENTADIENE
|
|
{
|
|
specie
|
|
{
|
|
molWeight 66.1036;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 9.88466 0.0189944 -6.87485e-06 1.11557e-09 -6.70256e-14 7135.11 -31.7238 );
|
|
lowCpCoeffs ( 0.977484 0.013911 7.36279e-05 -1.1434e-07 4.88766e-11 10825 20.8861 );
|
|
}
|
|
}
|
|
ZrC(cr)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 103.231;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 3805;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.10294 0.00216834 -1.12683e-06 3.07152e-10 -3.00678e-14 -25409.6 -26.0456 );
|
|
lowCpCoeffs ( -1.12575 0.0338354 -6.64955e-05 6.40913e-08 -2.42647e-11 -24347.1 2.77083 );
|
|
}
|
|
}
|
|
CCl2F
|
|
{
|
|
specie
|
|
{
|
|
molWeight 101.916;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.43495 0.00161096 -6.32735e-07 1.08219e-10 -6.73872e-15 -15533.6 -13.3241 );
|
|
lowCpCoeffs ( 2.48481 0.0232679 -3.17729e-05 2.09727e-08 -5.43785e-12 -14161.7 16.0941 );
|
|
}
|
|
}
|
|
C7H__linear
|
|
{
|
|
specie
|
|
{
|
|
molWeight 85.086;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 13.8132 0.00795859 -2.91519e-06 4.76873e-10 -2.88137e-14 126161 -42.3319 );
|
|
lowCpCoeffs ( 1.11875 0.0691736 -0.00012465 1.12446e-07 -3.8783e-11 128585 17.3766 );
|
|
}
|
|
}
|
|
C9H11_PropylBenzen
|
|
{
|
|
specie
|
|
{
|
|
molWeight 119.188;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 17.8522 0.0343351 -1.24369e-05 2.01361e-09 -1.20659e-13 17081.4 -66.2224 );
|
|
lowCpCoeffs ( 3.28679 0.0372876 7.71117e-05 -1.34517e-07 5.84739e-11 22734.7 17.5264 );
|
|
}
|
|
}
|
|
NH2+_cation
|
|
{
|
|
specie
|
|
{
|
|
molWeight 16.0221;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.66716 0.00342796 -1.12918e-06 1.71029e-10 -9.76275e-15 151884 6.81237 );
|
|
lowCpCoeffs ( 4.11219 -0.00158942 5.72106e-06 -4.30115e-09 1.18452e-12 151544 -0.385152 );
|
|
}
|
|
}
|
|
CH3-N*-CH3
|
|
{
|
|
specie
|
|
{
|
|
molWeight 44.0768;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.51948 0.0152843 -5.42514e-06 8.68466e-10 -5.16752e-14 16020.8 -5.72125 );
|
|
lowCpCoeffs ( 4.35207 0.0022063 5.25357e-05 -6.99538e-08 2.80551e-11 17491.1 9.92897 );
|
|
}
|
|
}
|
|
S-C3H5_CH3CH=CH*
|
|
{
|
|
specie
|
|
{
|
|
molWeight 41.0733;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.05091 0.0134052 -4.73451e-06 7.55381e-10 -4.48421e-14 29086 -6.73692 );
|
|
lowCpCoeffs ( 3.33277 0.0106102 2.1756e-05 -3.47145e-08 1.44477e-11 30340.5 9.78922 );
|
|
}
|
|
}
|
|
CH2NC_Radical
|
|
{
|
|
specie
|
|
{
|
|
molWeight 40.0449;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.74237 0.00628075 -2.21502e-06 3.53105e-10 -2.0951e-14 40894.9 -4.10984 );
|
|
lowCpCoeffs ( 3.36759 0.0131553 -1.05147e-05 5.55784e-09 -1.42572e-12 41578.8 8.18621 );
|
|
}
|
|
}
|
|
PF+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 49.9717;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.12895 0.00040252 -1.43582e-07 2.39612e-11 -1.44009e-15 107126 3.18525 );
|
|
lowCpCoeffs ( 3.9685 -0.000730955 4.40181e-06 -5.15182e-09 1.92286e-12 107247 4.39852 );
|
|
}
|
|
}
|
|
H2O2+__cis
|
|
{
|
|
specie
|
|
{
|
|
molWeight 34.0142;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.60364 0.00487146 -1.66294e-06 2.59065e-10 -1.51178e-14 110545 7.16881 );
|
|
lowCpCoeffs ( 4.64259 -0.00435282 2.08146e-05 -2.16124e-08 7.56406e-12 110577 3.37314 );
|
|
}
|
|
}
|
|
Sb(OH)3
|
|
{
|
|
specie
|
|
{
|
|
molWeight 172.772;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.51 0.0033165 -9.35894e-07 1.24008e-10 -6.31276e-15 -80778.1 -32.4561 );
|
|
lowCpCoeffs ( -0.321317 0.0709481 -0.000133072 1.14056e-07 -3.66025e-11 -78880.9 25.788 );
|
|
}
|
|
}
|
|
CF4____FC-14
|
|
{
|
|
specie
|
|
{
|
|
molWeight 88.0048;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 9.47337 0.00359408 -1.40334e-06 2.39114e-10 -1.48513e-14 -115817 -24.9737 );
|
|
lowCpCoeffs ( 1.0512 0.0278318 -2.46683e-05 6.75883e-09 9.14851e-13 -113574 18.1937 );
|
|
}
|
|
}
|
|
IR_(cr)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 192.2;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 2720;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.12748 2.66314e-05 5.72353e-07 -2.05606e-10 3.10639e-14 -987.101 -13.6885 );
|
|
lowCpCoeffs ( 2.84948 0.000201971 1.56773e-06 -1.82289e-09 7.55628e-13 -869.155 -12.0832 );
|
|
}
|
|
}
|
|
C3HBr2O*__Radica
|
|
{
|
|
specie
|
|
{
|
|
molWeight 212.843;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.6974 0.0058418 -2.15684e-06 3.54756e-10 -2.15189e-14 18943.6 -27.7394 );
|
|
lowCpCoeffs ( 3.46029 0.0425936 -6.35923e-05 5.00255e-08 -1.57714e-11 21015.6 17.4146 );
|
|
}
|
|
}
|
|
C3O2+_O=C=C=C=O+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 68.0317;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.54631 0.00472835 -1.77507e-06 2.94933e-10 -1.80079e-14 109501 -17.8661 );
|
|
lowCpCoeffs ( 3.18052 0.0260857 -3.84508e-05 3.09476e-08 -9.98653e-12 110744 8.4546 );
|
|
}
|
|
}
|
|
s-1-C10H7-CH=CH*
|
|
{
|
|
specie
|
|
{
|
|
molWeight 153.206;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 24.4442 0.0326961 -1.18996e-05 1.93488e-09 -1.16386e-13 45247.1 -105.926 );
|
|
lowCpCoeffs ( -1.42936 0.0739465 2.97654e-05 -1.09318e-07 5.40951e-11 53578.2 34.2506 );
|
|
}
|
|
}
|
|
Fe3O4(S)_Solid-A
|
|
{
|
|
specie
|
|
{
|
|
molWeight 231.539;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 850;
|
|
Tcommon 850;
|
|
highCpCoeffs 7 { 0 };
|
|
lowCpCoeffs ( 4.84451 0.0439052 5.24677e-05 -2.20802e-07 1.74856e-10 -138015 -23.8418 );
|
|
}
|
|
}
|
|
HCS_Radical
|
|
{
|
|
specie
|
|
{
|
|
molWeight 45.0831;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.24665 0.00235823 -8.25469e-07 1.30882e-10 -7.735e-15 32499.5 3.27483 );
|
|
lowCpCoeffs ( 3.79165 -0.000494799 1.27554e-05 -1.7355e-08 7.20528e-12 32782.9 6.50582 );
|
|
}
|
|
}
|
|
SN
|
|
{
|
|
specie
|
|
{
|
|
molWeight 46.0707;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.88274 0.00066921 -2.54355e-07 4.37689e-11 -2.47822e-15 32307.2 4.24201 );
|
|
lowCpCoeffs ( 4.61308 -0.00697042 2.01423e-05 -2.1237e-08 7.79086e-12 32359.3 1.78352 );
|
|
}
|
|
}
|
|
HgCl_____Calomel
|
|
{
|
|
specie
|
|
{
|
|
molWeight 236.043;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.45021 0.000151707 -2.26822e-08 4.20577e-12 -2.8805e-16 8085.58 5.83072 );
|
|
lowCpCoeffs ( 3.74145 0.00369165 -6.83638e-06 5.88297e-09 -1.89768e-12 8205.38 9.1083 );
|
|
}
|
|
}
|
|
C8H20PB_PB(C2H5)4
|
|
{
|
|
specie
|
|
{
|
|
molWeight 323.439;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 24.4253 0.0509079 -1.79999e-05 2.87408e-09 -1.70712e-13 1561.86 -101.161 );
|
|
lowCpCoeffs ( 6.60546 0.0631143 6.45009e-05 -1.35534e-07 6.13505e-11 8076.14 -0.766773 );
|
|
}
|
|
}
|
|
I+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 126.904;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.65647 -0.00039065 2.91992e-07 -5.7495e-11 3.62396e-15 134076 6.90542 );
|
|
lowCpCoeffs ( 2.50257 -2.30704e-05 7.54852e-08 -1.07234e-10 5.61893e-14 134120 7.71263 );
|
|
}
|
|
}
|
|
C3H4N__CH3-CH*-CN
|
|
{
|
|
specie
|
|
{
|
|
molWeight 54.072;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 7.65918 0.0121423 -4.32089e-06 6.93007e-10 -4.12937e-14 23485.9 -13.4087 );
|
|
lowCpCoeffs ( 2.90886 0.021025 -3.11711e-06 -1.06743e-08 5.98989e-12 25029.2 12.2021 );
|
|
}
|
|
}
|
|
PFCl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 85.4252;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.41368 0.000610485 -2.41429e-07 4.14758e-11 -2.59054e-15 -36138.8 -3.44104 );
|
|
lowCpCoeffs ( 2.60633 0.017375 -2.98679e-05 2.43807e-08 -7.67241e-12 -35389 14.7124 );
|
|
}
|
|
}
|
|
C7H14O2_MeCaproate
|
|
{
|
|
specie
|
|
{
|
|
molWeight 130.188;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 17.4971 0.0434419 -1.58592e-05 2.58057e-09 -1.55157e-13 -70008.3 -62.538 );
|
|
lowCpCoeffs ( 9.95476 0.00344198 0.000160071 -2.06996e-07 8.10336e-11 -64953 -8.84089 );
|
|
}
|
|
}
|
|
C2H2O2_HOCH=C=O
|
|
{
|
|
specie
|
|
{
|
|
molWeight 58.037;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 7.25266 0.00709713 -2.49704e-06 3.97702e-10 -2.35908e-14 -21484.1 -9.5133 );
|
|
lowCpCoeffs ( 3.35108 0.0155375 -4.45397e-06 -6.25821e-09 4.05044e-12 -20301.2 11.1761 );
|
|
}
|
|
}
|
|
CH3ONO
|
|
{
|
|
specie
|
|
{
|
|
molWeight 61.0406;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.93605 0.00997319 -3.60643e-06 5.83462e-10 -3.50059e-14 -10838.2 -6.98145 );
|
|
lowCpCoeffs ( 6.15261 -0.00291937 4.14527e-05 -4.93955e-08 1.85608e-11 -9852.6 0.804057 );
|
|
}
|
|
}
|
|
CH2_TRIPLET
|
|
{
|
|
specie
|
|
{
|
|
molWeight 14.0271;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.14632 0.00303671 -9.96474e-07 1.50484e-10 -8.57336e-15 46041.3 4.72342 );
|
|
lowCpCoeffs ( 3.71758 0.00127391 2.17347e-06 -3.48858e-09 1.65209e-12 45872.4 1.75298 );
|
|
}
|
|
}
|
|
NH4NO3(III)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 80.0435;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 305.38;
|
|
Thigh 357.25;
|
|
Tcommon 357.25;
|
|
highCpCoeffs 7 { 0 };
|
|
lowCpCoeffs ( 7.23314 0.0233327 0 0 0 -46941.8 -29.2985 );
|
|
}
|
|
}
|
|
C7H7ON_AcetPyridin
|
|
{
|
|
specie
|
|
{
|
|
molWeight 121.14;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 16.2881 0.0259051 -9.43222e-06 1.53323e-09 -9.21563e-14 -12665.4 -59.1426 );
|
|
lowCpCoeffs ( 3.03223 0.0307723 6.39185e-05 -1.12392e-07 4.88713e-11 -7604.69 16.6173 );
|
|
}
|
|
}
|
|
C3H6O3_Trioxane
|
|
{
|
|
specie
|
|
{
|
|
molWeight 90.0795;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 9.92478 0.0218093 -7.93043e-06 1.29092e-09 -7.77325e-14 -62550.7 -31.2305 );
|
|
lowCpCoeffs ( 3.55244 0.00170629 9.91147e-05 -1.31999e-07 5.26422e-11 -59030.2 10.6185 );
|
|
}
|
|
}
|
|
AlH
|
|
{
|
|
specie
|
|
{
|
|
molWeight 27.9895;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.72479 0.000632387 -1.99392e-07 6.60159e-11 -7.21971e-15 28718.4 0.931031 );
|
|
lowCpCoeffs ( 3.7632 -0.00270563 8.64901e-06 -8.03343e-09 2.54342e-12 28914.2 1.64164 );
|
|
}
|
|
}
|
|
C2H2+_Acetylene+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 26.0377;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.73378 0.00474946 -1.61753e-06 2.5156e-10 -1.46612e-14 158689 -3.8094 );
|
|
lowCpCoeffs ( 0.504052 0.0241659 -3.65855e-05 2.88795e-08 -8.86135e-12 159479 16.1451 );
|
|
}
|
|
}
|
|
C18H35O2_Stearyl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 283.478;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 41.8146 0.107477 -3.91511e-05 6.37176e-09 -3.83377e-13 -84385.3 -180.808 );
|
|
lowCpCoeffs ( 25.2172 -0.0124844 0.000455629 -5.78454e-07 2.26221e-10 -71848.4 -55.2949 );
|
|
}
|
|
}
|
|
C10H16_Adamantane
|
|
{
|
|
specie
|
|
{
|
|
molWeight 136.239;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 17.0167 0.0530712 -1.92106e-05 3.1174e-09 -1.87302e-13 -26915.7 -81.2648 );
|
|
lowCpCoeffs ( 0.664419 0.0115317 0.000227564 -3.12957e-07 1.27005e-10 -18471.5 23.4053 );
|
|
}
|
|
}
|
|
C2H+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 25.0297;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.2343 0.00279475 -9.7759e-07 1.5492e-10 -9.15197e-15 202672 -0.637233 );
|
|
lowCpCoeffs ( 2.62939 0.0105009 -1.60267e-05 1.35781e-08 -4.48449e-12 202979 6.91188 );
|
|
}
|
|
}
|
|
s-*CH2(CH3)-N-NH2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 59.0915;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 9.24073 0.0171697 -5.96838e-06 9.41907e-10 -5.54852e-14 27024.5 -20.1283 );
|
|
lowCpCoeffs ( 2.29772 0.0330028 -1.1078e-05 -1.02853e-08 7.39126e-12 29071.6 16.4347 );
|
|
}
|
|
}
|
|
C6H6_1,3-Hexadiyn
|
|
{
|
|
specie
|
|
{
|
|
molWeight 78.1147;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 11.6492 0.019118 -6.79248e-06 1.08836e-09 -6.48106e-14 42082 -34.2313 );
|
|
lowCpCoeffs ( 1.49405 0.0473666 -3.35829e-05 8.79565e-09 9.24848e-13 44918.3 18.2483 );
|
|
}
|
|
}
|
|
C5H5N5__Adenine
|
|
{
|
|
specie
|
|
{
|
|
molWeight 135.129;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 18.4827 0.0219767 -7.95197e-06 1.29134e-09 -7.76656e-14 18855.7 -73.4902 );
|
|
lowCpCoeffs ( 0.00531528 0.053929 1.03827e-05 -6.18113e-08 3.12154e-11 24762.4 26.2384 );
|
|
}
|
|
}
|
|
C7H16_ISOHEPTANE
|
|
{
|
|
specie
|
|
{
|
|
molWeight 100.206;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 11.3546 0.051082 -1.80753e-05 2.2828e-09 -1.03734e-13 -29935.4 -31.0113 );
|
|
lowCpCoeffs ( 4.22048 0.0393949 7.53935e-05 -1.24221e-07 5.17527e-11 -26859.2 12.4263 );
|
|
}
|
|
}
|
|
NHF
|
|
{
|
|
specie
|
|
{
|
|
molWeight 34.0131;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.89579 0.0026973 -9.64134e-07 1.56565e-10 -9.32755e-15 12097.6 4.57812 );
|
|
lowCpCoeffs ( 4.14816 -0.00333799 1.76322e-05 -2.05705e-08 7.90431e-12 12263.2 4.50249 );
|
|
}
|
|
}
|
|
IC2H4OH
|
|
{
|
|
specie
|
|
{
|
|
molWeight 171.966;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.66483 0.0141418 -4.99266e-06 7.96794e-10 -4.73238e-14 -21950.9 -16.717 );
|
|
lowCpCoeffs ( 4.08071 0.0114618 3.47887e-05 -5.48635e-08 2.30956e-11 -20000.7 10.5059 );
|
|
}
|
|
}
|
|
FCN
|
|
{
|
|
specie
|
|
{
|
|
molWeight 45.0162;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.12859 0.00227717 -8.3218e-07 1.38026e-10 -8.40137e-15 -752.978 -3.18696 );
|
|
lowCpCoeffs ( 2.32868 0.0143355 -2.30945e-05 1.98118e-08 -6.67826e-12 -145.927 10.3365 );
|
|
}
|
|
}
|
|
He
|
|
{
|
|
specie
|
|
{
|
|
molWeight 4.0026;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.5 0 0 0 0 -745.375 0.928724 );
|
|
lowCpCoeffs ( 2.5 0 0 0 0 -745.375 0.928724 );
|
|
}
|
|
}
|
|
C2H5O+__CH3C*HOH+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 45.061;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.50386 0.0137898 -4.85149e-06 7.72188e-10 -4.5768e-14 69554.3 -4.64259 );
|
|
lowCpCoeffs ( 2.68209 0.0120727 1.65744e-05 -2.68362e-08 1.06755e-11 70850.5 12.376 );
|
|
}
|
|
}
|
|
D
|
|
{
|
|
specie
|
|
{
|
|
molWeight 2.0141;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.5 0 0 0 0 25921.3 0.591714 );
|
|
lowCpCoeffs ( 2.5 0 0 0 0 25921.3 0.591714 );
|
|
}
|
|
}
|
|
C2Cl2F4_CF3CFCl2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 170.922;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 17.7925 0.00421024 -1.83e-06 3.29839e-10 -2.11823e-14 -119966 -60.6621 );
|
|
lowCpCoeffs ( 2.3609 0.0571774 -7.51817e-05 4.9195e-08 -1.30702e-11 -116174 16.6185 );
|
|
}
|
|
}
|
|
CH2O2_cycCH2(OO)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 46.0259;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.1508 0.00705003 -2.54982e-06 4.13599e-10 -2.48447e-14 -2116.99 -3.49764 );
|
|
lowCpCoeffs ( 4.05559 -0.00777777 5.48168e-05 -6.77568e-08 2.67019e-11 -1032.85 6.25404 );
|
|
}
|
|
}
|
|
SbCl2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 192.656;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.93482 0.00108999 -4.26609e-07 7.27978e-11 -4.52598e-15 -13893.3 -0.823286 );
|
|
lowCpCoeffs ( 3.26046 0.00813469 -5.31504e-06 -1.00842e-09 1.59478e-12 -13161.4 13.0106 );
|
|
}
|
|
}
|
|
Al2O3
|
|
{
|
|
specie
|
|
{
|
|
molWeight 101.961;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 11.8225 0.00172548 -6.77407e-07 1.15825e-10 -7.21084e-15 -69710 -30.5569 );
|
|
lowCpCoeffs ( 5.63487 0.0244277 -3.39723e-05 2.31683e-08 -6.2793e-12 -68283.9 0.0147501 );
|
|
}
|
|
}
|
|
C5H11__neopentyl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 71.1434;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 26.0303 -0.00389073 1.18835e-05 -2.0593e-09 1.06754e-13 -5665.23 -112.797 );
|
|
lowCpCoeffs ( -4.46504 0.0932368 -0.000141121 1.52614e-07 -6.83999e-11 2301.1 42.802 );
|
|
}
|
|
}
|
|
C2F2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 62.0191;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 7.53994 0.00275655 -1.01925e-06 1.67696e-10 -1.01707e-14 -2186.79 -13.2743 );
|
|
lowCpCoeffs ( 4.21917 0.0174655 -2.90187e-05 2.55813e-08 -8.81244e-12 -1480.27 2.68489 );
|
|
}
|
|
}
|
|
ClHC=C=CCl(O*)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 123.947;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.3942 0.00615882 -2.28223e-06 3.76277e-10 -2.28616e-14 8091.93 -29.6799 );
|
|
lowCpCoeffs ( 2.87459 0.0415061 -5.67133e-05 4.10466e-08 -1.20899e-11 10327.3 17.4071 );
|
|
}
|
|
}
|
|
s-2,4-C6H4Cl2O_tr
|
|
{
|
|
specie
|
|
{
|
|
molWeight 163.004;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 18.0138 0.0165923 -6.00696e-06 9.75704e-10 -5.86874e-14 -24922.9 -66.1397 );
|
|
lowCpCoeffs ( 0.146997 0.0670773 -5.41186e-05 1.50693e-08 1.34116e-12 -20064.8 25.8027 );
|
|
}
|
|
}
|
|
CH5O+__OH2CH3+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 33.0499;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.12018 0.0123179 -4.21315e-06 6.57463e-10 -3.84191e-14 67396.9 1.71193 );
|
|
lowCpCoeffs ( 2.63253 0.00923812 1.438e-05 -2.22088e-08 8.80208e-12 68175.2 11.1834 );
|
|
}
|
|
}
|
|
OH
|
|
{
|
|
specie
|
|
{
|
|
molWeight 17.0074;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.83853 0.00110741 -2.94e-07 4.20699e-11 -2.4229e-15 3697.81 5.84495 );
|
|
lowCpCoeffs ( 3.99198 -0.00240107 4.61664e-06 -3.87916e-09 1.3632e-12 3368.9 -0.103998 );
|
|
}
|
|
}
|
|
C3H6_propylene
|
|
{
|
|
specie
|
|
{
|
|
molWeight 42.0813;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.0387 0.0162964 -5.82131e-06 9.35937e-10 -5.58603e-14 -741.715 -8.43826 );
|
|
lowCpCoeffs ( 3.83464 0.00329079 5.05228e-05 -6.66251e-08 2.63707e-11 788.717 7.53408 );
|
|
}
|
|
}
|
|
FeCl3(s)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 162.206;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 577;
|
|
Tcommon 577;
|
|
highCpCoeffs 7 { 0 };
|
|
lowCpCoeffs ( -7.39557 0.202608 -0.000844506 1.59287e-06 -1.07989e-09 -50014.5 24.4451 );
|
|
}
|
|
}
|
|
C4H7__3-buten-1-yl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 55.1004;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.49074 0.0191057 -6.74371e-06 1.07343e-09 -6.36252e-14 20465.9 -17.4556 );
|
|
lowCpCoeffs ( 5.07355 0.00527619 6.23441e-05 -8.54203e-08 3.4589e-11 22461.5 5.60318 );
|
|
}
|
|
}
|
|
C7H15O_3,3-dimet
|
|
{
|
|
specie
|
|
{
|
|
molWeight 115.197;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 20.9859 0.0385709 -1.46087e-05 2.59555e-09 -1.75053e-13 -27555.9 -96.7484 );
|
|
lowCpCoeffs ( 0.176387 0.0726246 2.14651e-07 -5.23552e-08 2.64459e-11 -20300.8 17.1949 );
|
|
}
|
|
}
|
|
ZnSO4(a)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 161.432;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 540;
|
|
Tcommon 540;
|
|
highCpCoeffs 7 { 0 };
|
|
lowCpCoeffs ( -1.38345 0.0873784 -0.000228794 3.4608e-07 -2.01391e-10 -119922 2.63495 );
|
|
}
|
|
}
|
|
INO2_NitroIodine
|
|
{
|
|
specie
|
|
{
|
|
molWeight 172.91;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 7.52922 0.0024762 -9.57413e-07 1.62127e-10 -1.00279e-14 4582.4 -9.54209 );
|
|
lowCpCoeffs ( 2.24721 0.0225556 -3.35798e-05 2.63935e-08 -8.41637e-12 5822.28 16.5344 );
|
|
}
|
|
}
|
|
C6H12O6__Glucose
|
|
{
|
|
specie
|
|
{
|
|
molWeight 180.159;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 27.116 0.0355979 -1.26796e-05 2.03398e-09 -1.21203e-13 -137164 -112.3 );
|
|
lowCpCoeffs ( 1.56616 0.0790442 1.94257e-05 -9.70844e-08 4.89952e-11 -129083 25.4527 );
|
|
}
|
|
}
|
|
NiS2(cr)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 122.838;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 1280;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 7.7183 0.00257633 -6.74649e-08 1.87737e-11 0 -18213.3 -36.0791 );
|
|
lowCpCoeffs ( 7.75181 0.00248502 2.35858e-08 -2.1171e-11 6.6957e-15 -18222.8 -36.2531 );
|
|
}
|
|
}
|
|
C7H5NO__Anthranil
|
|
{
|
|
specie
|
|
{
|
|
molWeight 119.124;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 15.9306 0.021933 -8.01209e-06 1.30869e-09 -7.9006e-14 14497.7 -62.1113 );
|
|
lowCpCoeffs ( -0.574472 0.0400061 4.50006e-05 -9.85283e-08 4.51772e-11 20203.3 29.287 );
|
|
}
|
|
}
|
|
CH2(NO2)2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 106.038;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 11.665 0.0115956 -4.46186e-06 7.49036e-10 -4.59542e-14 -11302.5 -29.1989 );
|
|
lowCpCoeffs ( 3.0465 0.0219715 1.65597e-05 -4.04246e-08 1.83486e-11 -8264.76 18.5744 );
|
|
}
|
|
}
|
|
HNNH-__trans
|
|
{
|
|
specie
|
|
{
|
|
molWeight 30.0299;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.88892 0.00533929 -1.89422e-06 3.03126e-10 -1.8032e-14 29242.6 3.18757 );
|
|
lowCpCoeffs ( 3.03932 0.00358025 8.30143e-06 -1.1908e-08 4.60611e-12 29701.1 8.63197 );
|
|
}
|
|
}
|
|
SbCl5
|
|
{
|
|
specie
|
|
{
|
|
molWeight 299.015;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 15.487 0.00054385 -2.17374e-07 3.76055e-11 -2.36017e-15 -56837.1 -37.9009 );
|
|
lowCpCoeffs ( 7.49842 0.0464326 -0.000100842 9.7466e-08 -3.47059e-11 -55667.7 -2.09441 );
|
|
}
|
|
}
|
|
C19H34O2_meLinolei
|
|
{
|
|
specie
|
|
{
|
|
molWeight 294.482;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 40.9191 0.107456 -4.19927e-05 7.50842e-09 -5.04448e-13 -79480.1 -166.427 );
|
|
lowCpCoeffs ( 1.48355 0.181326 -4.11692e-05 -6.69529e-08 3.85388e-11 -66447.3 46.6314 );
|
|
}
|
|
}
|
|
SiH3__Silyl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 31.1099;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.64411 0.00516793 -1.95245e-06 3.25696e-10 -1.99386e-14 21904.1 -2.68494 );
|
|
lowCpCoeffs ( 3.82672 -0.00254396 2.63638e-05 -3.10118e-08 1.15306e-11 22663 4.07337 );
|
|
}
|
|
}
|
|
Hg
|
|
{
|
|
specie
|
|
{
|
|
molWeight 200.59;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.50954 -1.98827e-05 1.38911e-08 -3.93543e-12 3.90959e-16 6633.58 6.74848 );
|
|
lowCpCoeffs ( 2.5 0 0 0 0 6636.9 6.8002 );
|
|
}
|
|
}
|
|
C6H5__FULVENYL_M
|
|
{
|
|
specie
|
|
{
|
|
molWeight 77.1068;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.9808 0.0162661 -5.90216e-06 9.59453e-10 -5.77215e-14 53170.4 -44.5339 );
|
|
lowCpCoeffs ( -0.896711 0.0431741 2.4133e-06 -4.48391e-08 2.43949e-11 57381.2 29.4157 );
|
|
}
|
|
}
|
|
S
|
|
{
|
|
specie
|
|
{
|
|
molWeight 32.064;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.87936 -0.00051105 2.53807e-07 -4.45455e-11 2.66717e-15 32501.4 3.98141 );
|
|
lowCpCoeffs ( 2.31726 0.00478018 -1.42083e-05 1.5657e-08 -5.96588e-12 32506.9 6.06242 );
|
|
}
|
|
}
|
|
BH4
|
|
{
|
|
specie
|
|
{
|
|
molWeight 14.8429;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.99718 0.00754691 -2.81116e-06 4.64635e-10 -2.82648e-14 28446.1 -6.0901 );
|
|
lowCpCoeffs ( 3.07171 0.00396502 1.87998e-05 -2.5591e-08 9.9238e-12 29482.3 6.1842 );
|
|
}
|
|
}
|
|
HF+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 20.0058;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.77956 0.00139744 -4.71212e-07 7.20124e-11 -3.94206e-15 153352 5.96796 );
|
|
lowCpCoeffs ( 3.49082 0.000251786 -1.41527e-06 2.61526e-09 -1.16873e-12 153126 2.11589 );
|
|
}
|
|
}
|
|
C9H18O6_TATP
|
|
{
|
|
specie
|
|
{
|
|
molWeight 222.24;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 35.159 0.0525728 -1.89376e-05 3.06267e-09 -1.83567e-13 -62981.4 -161.393 );
|
|
lowCpCoeffs ( -1.19327 0.16895 -0.000171505 1.01467e-07 -2.60451e-11 -53390.5 23.2901 );
|
|
}
|
|
}
|
|
C12H5Cl4O2_RAD
|
|
{
|
|
specie
|
|
{
|
|
molWeight 322.984;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 35.2447 0.0279219 -1.03852e-05 1.7161e-09 -1.04418e-13 -24587.7 -144.678 );
|
|
lowCpCoeffs ( 3.38994 0.111904 -7.74499e-05 6.65933e-09 9.8894e-12 -15603.8 20.7711 );
|
|
}
|
|
}
|
|
CDH3
|
|
{
|
|
specie
|
|
{
|
|
molWeight 17.0492;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 300;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.93895 0.00846846 -2.82192e-06 4.13197e-10 -2.17385e-14 -10964.6 4.2781 );
|
|
lowCpCoeffs ( 2.63805 0.00418233 7.21339e-06 -5.85644e-09 7.99619e-13 -10462.6 7.50961 );
|
|
}
|
|
}
|
|
C17H32O2_mepalmOle
|
|
{
|
|
specie
|
|
{
|
|
molWeight 268.443;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 36.379 0.101939 -4.04827e-05 7.35699e-09 -5.01183e-13 -88241 -144.284 );
|
|
lowCpCoeffs ( 2.46717 0.160529 -2.39376e-05 -7.37579e-08 3.93212e-11 -76824.8 40.3847 );
|
|
}
|
|
}
|
|
HNO2-_trans____H
|
|
{
|
|
specie
|
|
{
|
|
molWeight 47.014;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.66428 0.00271998 -9.22657e-07 1.43323e-10 -8.35348e-15 -16304.1 -6.42101 );
|
|
lowCpCoeffs ( 3.97343 0.0126098 -1.53211e-05 9.93127e-09 -2.59682e-12 -15687.9 6.86058 );
|
|
}
|
|
}
|
|
JET-A(G)_C12H23
|
|
{
|
|
specie
|
|
{
|
|
molWeight 167.317;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 273.15;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 24.8802 0.07825 -3.1551e-05 5.78789e-09 -3.9828e-13 -38508.8 -95.5682 );
|
|
lowCpCoeffs ( 2.08692 0.13315 -8.11575e-05 2.94093e-08 -6.51952e-12 -31311 25.4423 );
|
|
}
|
|
}
|
|
O3__cyclo__O(OO)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 47.9982;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.58604 0.00144418 -5.64567e-07 9.62618e-11 -5.98138e-15 30771.1 -5.17927 );
|
|
lowCpCoeffs ( 3.43378 0.00141964 1.53559e-05 -2.41415e-08 1.04881e-11 31589.4 7.20806 );
|
|
}
|
|
}
|
|
H2O3+__HOOOH+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 50.0136;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.32004 0.0056102 -1.94097e-06 3.05548e-10 -1.79743e-14 109023 -7.292 );
|
|
lowCpCoeffs ( 2.30136 0.0179777 -1.59612e-05 6.94809e-09 -9.89076e-13 110065 13.1393 );
|
|
}
|
|
}
|
|
C2H6O__CH3OCH3
|
|
{
|
|
specie
|
|
{
|
|
molWeight 46.0695;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.64844 0.0163382 -5.86802e-06 9.46836e-10 -5.66504e-14 -25086.4 -5.96267 );
|
|
lowCpCoeffs ( 5.30562 -0.00214254 5.30873e-05 -6.23147e-08 2.30731e-11 -23965.6 0.713245 );
|
|
}
|
|
}
|
|
C12H4Cl4O3_1368
|
|
{
|
|
specie
|
|
{
|
|
molWeight 337.976;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 36.5132 0.0281939 -1.05066e-05 1.7389e-09 -1.05936e-13 -50353.6 -158.21 );
|
|
lowCpCoeffs ( 1.91091 0.126862 -0.000112284 4.42202e-08 -4.87612e-12 -40826.1 20.066 );
|
|
}
|
|
}
|
|
E-_electron_gas
|
|
{
|
|
specie
|
|
{
|
|
molWeight 0.000545;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.5 0 0 0 0 -745.375 -11.7208 );
|
|
lowCpCoeffs ( 2.5 0 0 0 0 -745.375 -11.7208 );
|
|
}
|
|
}
|
|
NH2OH
|
|
{
|
|
specie
|
|
{
|
|
molWeight 33.03;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.88113 0.00815708 -2.82616e-06 4.37931e-10 -2.52725e-14 -6860.18 3.79156 );
|
|
lowCpCoeffs ( 3.21016 0.00619672 1.10595e-05 -1.96668e-08 8.82517e-12 -6581.48 7.93294 );
|
|
}
|
|
}
|
|
Mn5N2(S)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 302.703;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 800;
|
|
Tcommon 800;
|
|
highCpCoeffs 7 { 0 };
|
|
lowCpCoeffs ( 15.3753 0.0193066 5.09039e-08 -6.55124e-11 3.04082e-14 -30002.1 -70.8163 );
|
|
}
|
|
}
|
|
P2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 61.9476;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.03697 0.000651555 -3.19761e-07 6.73956e-11 -3.88514e-15 16030.9 2.91119 );
|
|
lowCpCoeffs ( 2.9606 0.00385561 -2.87398e-06 -3.19976e-10 8.10023e-13 16290.7 8.34523 );
|
|
}
|
|
}
|
|
CBr3Cl__TriBromo
|
|
{
|
|
specie
|
|
{
|
|
molWeight 287.167;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.0556 0.000988124 -3.91913e-07 6.74561e-11 -4.21877e-15 2506.79 -26.5548 );
|
|
lowCpCoeffs ( 4.24225 0.0384131 -7.18291e-05 6.26374e-08 -2.07486e-11 3926.46 10.0411 );
|
|
}
|
|
}
|
|
C6H3_CH2=C=C=C=C=C
|
|
{
|
|
specie
|
|
{
|
|
molWeight 75.0908;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.0132 0.0114461 -4.08884e-06 6.57754e-10 -3.92832e-14 82589.2 -33.5119 );
|
|
lowCpCoeffs ( 1.50089 0.0545902 -7.88221e-05 6.27969e-08 -2.00769e-11 84913.4 17.6237 );
|
|
}
|
|
}
|
|
ClF3
|
|
{
|
|
specie
|
|
{
|
|
molWeight 92.4482;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 9.01549 0.00103001 -4.08508e-07 7.03102e-11 -4.39718e-15 -22776.3 -18.3256 );
|
|
lowCpCoeffs ( 1.05549 0.0385622 -7.09619e-05 6.10461e-08 -1.9999e-11 -21309.6 19.078 );
|
|
}
|
|
}
|
|
C18H36O4_9,10-di
|
|
{
|
|
specie
|
|
{
|
|
molWeight 316.485;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 43.9756 0.110685 -3.98011e-05 6.42714e-09 -3.84768e-13 -155799 -198.621 );
|
|
lowCpCoeffs ( 22.4478 -0.000202529 0.000463149 -6.03158e-07 2.38665e-10 -141891 -47.0674 );
|
|
}
|
|
}
|
|
SiHF3
|
|
{
|
|
specie
|
|
{
|
|
molWeight 86.0892;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 9.16502 0.00375614 -1.43309e-06 2.40661e-10 -1.48027e-14 -148632 -21.0748 );
|
|
lowCpCoeffs ( 1.96239 0.0253209 -2.32513e-05 6.9846e-09 6.97339e-13 -146768 15.5975 );
|
|
}
|
|
}
|
|
C5H12O(L)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 88.1508;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 310;
|
|
Tcommon 310;
|
|
highCpCoeffs 7 { 0 };
|
|
lowCpCoeffs ( 18.173 -0.0170292 0.000127817 -5.81278e-08 -4.62086e-11 -43371.2 -71.5913 );
|
|
}
|
|
}
|
|
D2-
|
|
{
|
|
specie
|
|
{
|
|
molWeight 4.02874;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.83397 0.000821355 -2.61248e-07 4.43534e-11 -2.74787e-15 27034.1 -3.26231 );
|
|
lowCpCoeffs ( 3.25566 0.000502864 4.2658e-06 -5.9333e-09 2.34466e-12 27287.5 0.193205 );
|
|
}
|
|
}
|
|
ND2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 18.0349;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.39344 0.0030943 -1.07945e-06 1.82616e-10 -1.16377e-14 20672.5 4.23146 );
|
|
lowCpCoeffs ( 4.08174 -0.00172293 8.47238e-06 -7.55764e-09 2.30573e-12 20680.4 1.51889 );
|
|
}
|
|
}
|
|
C3H4O2_AcrylAcid
|
|
{
|
|
specie
|
|
{
|
|
molWeight 72.0641;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 10.4963 0.012056 -4.34149e-06 6.99426e-10 -4.18004e-14 -43733.2 -27.5426 );
|
|
lowCpCoeffs ( 1.24227 0.0300699 -1.48207e-06 -2.42738e-08 1.33122e-11 -40866.8 21.9243 );
|
|
}
|
|
}
|
|
CHFClBr
|
|
{
|
|
specie
|
|
{
|
|
molWeight 147.371;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.52419 0.00415099 -1.53297e-06 2.5217e-10 -1.52969e-14 -30789.7 -14.0266 );
|
|
lowCpCoeffs ( 2.84647 0.0204936 -1.70059e-05 4.11372e-09 9.31157e-13 -29280.4 15.0637 );
|
|
}
|
|
}
|
|
AlCl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 62.4345;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.25184 0.000415727 -1.87099e-07 4.08714e-11 -2.38212e-15 -7439.5 3.02183 );
|
|
lowCpCoeffs ( 2.82486 0.00815239 -1.61817e-05 1.47785e-08 -5.0551e-12 -7223.18 9.49032 );
|
|
}
|
|
}
|
|
C3H6O__OXETANE
|
|
{
|
|
specie
|
|
{
|
|
molWeight 58.0807;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.80717 0.0188825 -6.79082e-06 1.09714e-09 -6.57155e-14 -13654.8 -13.5382 );
|
|
lowCpCoeffs ( 5.15284 -0.0186402 0.000129981 -1.5863e-07 6.20669e-11 -11324.4 4.73561 );
|
|
}
|
|
}
|
|
PO-
|
|
{
|
|
specie
|
|
{
|
|
molWeight 46.9737;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.66548 0.000988371 -2.59041e-07 2.90969e-11 -1.12535e-15 -18011.7 5.49927 );
|
|
lowCpCoeffs ( 2.88065 0.0034322 -2.32877e-06 -5.00818e-11 4.88788e-13 -17837.1 9.41565 );
|
|
}
|
|
}
|
|
C4F2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 86.0414;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 11.0453 0.00513393 -1.91095e-06 3.15777e-10 -1.92092e-14 22057 -29.7096 );
|
|
lowCpCoeffs ( 2.65029 0.0459479 -8.43662e-05 7.74072e-08 -2.70743e-11 23668.3 9.76166 );
|
|
}
|
|
}
|
|
I2_gas
|
|
{
|
|
specie
|
|
{
|
|
molWeight 253.809;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.56588 -0.000342229 4.84411e-07 -1.42632e-10 1.14951e-14 6160.24 5.41958 );
|
|
lowCpCoeffs ( 3.87235 0.00364265 -7.95349e-06 7.8215e-09 -2.80608e-12 6246.45 8.4941 );
|
|
}
|
|
}
|
|
CH3C(CH3)2CH3
|
|
{
|
|
specie
|
|
{
|
|
molWeight 72.1514;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 11.9038 0.0304925 -1.07785e-05 1.72065e-09 -1.02184e-13 -26300.4 -42.0464 );
|
|
lowCpCoeffs ( 3.56479 0.0290185 5.00307e-05 -8.66302e-08 3.72524e-11 -22877.4 6.73829 );
|
|
}
|
|
}
|
|
GeCl2____triplet
|
|
{
|
|
specie
|
|
{
|
|
molWeight 143.496;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.81293 0.000198046 -7.90982e-08 1.3677e-11 -8.58092e-16 10220.6 -1.95991 );
|
|
lowCpCoeffs ( 4.11513 0.0153508 -3.27832e-05 3.13345e-08 -1.10726e-11 10627.5 10.2028 );
|
|
}
|
|
}
|
|
Cl2O7
|
|
{
|
|
specie
|
|
{
|
|
molWeight 182.902;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 18.271 0.00685739 -2.67751e-06 4.56222e-10 -2.83362e-14 26277.1 -60.5019 );
|
|
lowCpCoeffs ( 0.598923 0.0650912 -7.74375e-05 4.48964e-08 -1.02702e-11 30690.6 28.4657 );
|
|
}
|
|
}
|
|
BrBrO_Br-Br-O
|
|
{
|
|
specie
|
|
{
|
|
molWeight 175.801;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 2500;
|
|
Thigh 5000;
|
|
Tcommon 2500;
|
|
highCpCoeffs ( -3.92364 0.0158744 -6.61352e-06 1.13441e-09 -7.05648e-14 22240.7 58.4177 );
|
|
lowCpCoeffs 7 { 0 };
|
|
}
|
|
}
|
|
C8H7N__o-ToluoNitr
|
|
{
|
|
specie
|
|
{
|
|
molWeight 117.152;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 15.6411 0.0268075 -9.69324e-06 1.57209e-09 -9.4427e-14 15094.1 -56.8164 );
|
|
lowCpCoeffs ( 2.05214 0.038168 4.22551e-05 -8.69955e-08 3.87533e-11 20059 19.5286 );
|
|
}
|
|
}
|
|
ClNC_biradical
|
|
{
|
|
specie
|
|
{
|
|
molWeight 61.4709;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.24521 0.00165607 -6.17161e-07 1.02039e-10 -6.20879e-15 36362.8 1.28383 );
|
|
lowCpCoeffs ( 3.65201 0.00922571 -1.61709e-05 1.50361e-08 -5.363e-12 36693.6 8.85764 );
|
|
}
|
|
}
|
|
C10H__linear
|
|
{
|
|
specie
|
|
{
|
|
molWeight 121.119;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 19.2577 0.0113339 -4.17792e-06 6.86197e-10 -4.1574e-14 167508 -66.0561 );
|
|
lowCpCoeffs ( 1.12302 0.101127 -0.000187244 1.72295e-07 -6.02423e-11 170907 18.8015 );
|
|
}
|
|
}
|
|
K2O2(g)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 110.203;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 9.31212 0.000727176 -2.92193e-07 5.09663e-11 -3.22456e-15 -26004.5 -16.7868 );
|
|
lowCpCoeffs ( 3.88984 0.027214 -5.18906e-05 4.60841e-08 -1.55025e-11 -25034.6 8.51183 );
|
|
}
|
|
}
|
|
NITRO-PENTANE
|
|
{
|
|
specie
|
|
{
|
|
molWeight 117.149;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 15.9382 0.0348884 -1.29634e-05 2.12755e-09 -1.28618e-13 -28040.7 -58.308 );
|
|
lowCpCoeffs ( 4.00704 0.0229727 0.000104023 -1.55574e-07 6.44329e-11 -22634.2 13.9587 );
|
|
}
|
|
}
|
|
Ar
|
|
{
|
|
specie
|
|
{
|
|
molWeight 39.948;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.5 0 0 0 0 -745.375 4.37967 );
|
|
lowCpCoeffs ( 2.5 0 0 0 0 -745.375 4.37967 );
|
|
}
|
|
}
|
|
I-
|
|
{
|
|
specie
|
|
{
|
|
molWeight 126.905;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.5 0 0 0 0 -24149.5 6.11347 );
|
|
lowCpCoeffs ( 2.5 0 0 0 0 -24149.5 6.11347 );
|
|
}
|
|
}
|
|
C4H9O2_tert-Buty
|
|
{
|
|
specie
|
|
{
|
|
molWeight 89.1151;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 13.4566 0.0240864 -8.56308e-06 1.36853e-09 -8.12707e-14 -18969 -41.8792 );
|
|
lowCpCoeffs ( 4.45495 0.0289185 3.68274e-05 -7.18116e-08 3.1878e-11 -15610.4 9.17831 );
|
|
}
|
|
}
|
|
C24H18__1,3,5_TPB
|
|
{
|
|
specie
|
|
{
|
|
molWeight 306.411;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 44.6361 0.0691141 -2.51283e-05 4.09099e-09 -2.46397e-13 23311.3 -213.505 );
|
|
lowCpCoeffs ( 2.6652 0.0881347 0.000198071 -3.48718e-07 1.52314e-10 39062.4 25.2624 );
|
|
}
|
|
}
|
|
C<GR>
|
|
{
|
|
specie
|
|
{
|
|
molWeight 12.0112;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 1.59828 0.00143065 -5.09435e-07 8.64401e-11 -5.3435e-15 -745.94 -9.30332 );
|
|
lowCpCoeffs ( -0.303745 0.00436036 1.98269e-06 -6.43473e-09 2.99601e-12 -109.458 1.08301 );
|
|
}
|
|
}
|
|
Na2O(a)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 61.979;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 1243;
|
|
Thigh 1405;
|
|
Tcommon 1243;
|
|
highCpCoeffs ( 12.0272 0 0 0 0 -53776.5 -61.4829 );
|
|
lowCpCoeffs 7 { 0 };
|
|
}
|
|
}
|
|
FeCl2(L)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 126.753;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 950;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.2885 0 0 0 0 -41106.8 -53.1855 );
|
|
lowCpCoeffs ( 12.2885 0 0 0 0 -41106.8 -53.1855 );
|
|
}
|
|
}
|
|
Na2O(c)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 61.979;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 1023;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.63342 0.00438694 0 0 0 -51790.2 -29.6038 );
|
|
lowCpCoeffs ( 2.1367 0.0391996 -8.50796e-05 8.70574e-08 -3.22937e-11 -51645.5 -11.76 );
|
|
}
|
|
}
|
|
CF3-CHCl2__HF123
|
|
{
|
|
specie
|
|
{
|
|
molWeight 152.931;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 15.6626 0.0058717 -2.37406e-06 4.12119e-10 -2.5882e-14 -97017.5 -50.8182 );
|
|
lowCpCoeffs ( 2.84644 0.0416333 -3.58348e-05 9.82622e-09 1.07532e-12 -93502.3 15.2681 );
|
|
}
|
|
}
|
|
C5H5_cyPentadiene
|
|
{
|
|
specie
|
|
{
|
|
molWeight 65.0956;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 10.2615 0.0155579 -5.54166e-06 8.89865e-10 -5.30836e-14 26964.4 -29.2212 );
|
|
lowCpCoeffs ( 1.63935 0.0169922 5.28961e-05 -9.02286e-08 3.98155e-11 30196.1 20.0912 );
|
|
}
|
|
}
|
|
MgCO3(cr)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 84.3213;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 500;
|
|
Thigh 1263;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 1878.86 -4.82825 0.00415166 -1.18385e-06 0 -678419 -9801.13 );
|
|
lowCpCoeffs ( 831.401 -5.79106 0.0140886 -1.43404e-05 5.2299e-09 -218703 -3493.15 );
|
|
}
|
|
}
|
|
C6H12O_Oxepane
|
|
{
|
|
specie
|
|
{
|
|
molWeight 100.162;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.125 0.0383513 -1.38268e-05 2.23752e-09 -1.34171e-13 -34282.5 -44.6749 );
|
|
lowCpCoeffs ( 4.98372 -0.00176674 0.000162591 -2.09432e-07 8.23768e-11 -29473 6.4928 );
|
|
}
|
|
}
|
|
C6D6
|
|
{
|
|
specie
|
|
{
|
|
molWeight 84.1515;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 15.0194 0.0183077 -6.91803e-06 1.1544e-09 -7.06933e-14 56.8508 -60.6326 );
|
|
lowCpCoeffs ( -3.34953 0.0611863 -2.85162e-05 -1.44495e-08 1.26217e-11 5548.34 36.204 );
|
|
}
|
|
}
|
|
C2D2O_Ketene-D2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 44.0499;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.6317 0.00601065 -2.24043e-06 3.70497e-10 -2.25473e-14 2216.9 -10.2684 );
|
|
lowCpCoeffs ( 2.06189 0.0219424 -2.72329e-05 2.06082e-08 -6.6297e-12 3413.67 12.7691 );
|
|
}
|
|
}
|
|
Zn(cr)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 65.37;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 692.73;
|
|
Tcommon 692.73;
|
|
highCpCoeffs 7 { 0 };
|
|
lowCpCoeffs ( 1.85069 0.00917791 -2.61047e-05 3.38569e-08 -1.39431e-11 -789.403 -7.38526 );
|
|
}
|
|
}
|
|
C3H7_i-propyl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 43.0892;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.30597 0.0189855 -6.74315e-06 1.07994e-09 -6.42785e-14 7787.49 -2.23234 );
|
|
lowCpCoeffs ( 5.47421 -0.00842537 8.04608e-05 -9.49288e-08 3.59831e-11 9049.39 3.40542 );
|
|
}
|
|
}
|
|
AlOH
|
|
{
|
|
specie
|
|
{
|
|
molWeight 43.9889;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.32035 0.0015375 -4.62221e-07 6.51648e-11 -3.51602e-15 -24882.8 -4.10769 );
|
|
lowCpCoeffs ( 1.88638 0.0191501 -3.44896e-05 2.93417e-08 -9.43128e-12 -24346.2 11.6125 );
|
|
}
|
|
}
|
|
MgTiO3(L)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 120.21;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 1953;
|
|
Thigh 6000;
|
|
Tcommon 1953;
|
|
highCpCoeffs ( 19.6255 0 0 0 0 -189697 -106.576 );
|
|
lowCpCoeffs 7 { 0 };
|
|
}
|
|
}
|
|
H3PO
|
|
{
|
|
specie
|
|
{
|
|
molWeight 49.9971;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.92757 0.00758831 -2.82153e-06 4.65846e-10 -2.83188e-14 -28198.9 -3.20235 );
|
|
lowCpCoeffs ( 3.885 -0.00583401 4.74708e-05 -5.78021e-08 2.24122e-11 -27130.4 6.0882 );
|
|
}
|
|
}
|
|
Pt-_Platinum_anion
|
|
{
|
|
specie
|
|
{
|
|
molWeight 195.091;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.12609 -0.00120878 6.98359e-07 -1.21981e-10 6.78578e-15 41499.9 4.02507 );
|
|
lowCpCoeffs ( 2.49563 2.73253e-05 -5.37968e-08 3.96335e-11 -8.32165e-15 41725.6 7.46999 );
|
|
}
|
|
}
|
|
CH2BrI
|
|
{
|
|
specie
|
|
{
|
|
molWeight 220.832;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.91535 0.00538192 -1.926e-06 3.10116e-10 -1.85306e-14 4225.73 -4.63921 );
|
|
lowCpCoeffs ( 2.95308 0.0149986 -6.07333e-06 -5.35166e-09 4.13616e-12 5346.61 16.0367 );
|
|
}
|
|
}
|
|
C6H11__1-ene-6-yl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 83.1546;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 13.4689 0.0293408 -1.05598e-05 1.69866e-09 -1.01267e-13 12956.7 -37.8641 );
|
|
lowCpCoeffs ( 5.3565 0.0195202 7.89833e-05 -1.21172e-07 5.11597e-11 16597.3 11.3655 );
|
|
}
|
|
}
|
|
SF5-
|
|
{
|
|
specie
|
|
{
|
|
molWeight 127.057;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 14.4514 0.00162661 -6.46795e-07 1.11515e-10 -6.98269e-15 -149683 -45.6946 );
|
|
lowCpCoeffs ( 1.48988 0.0602546 -0.000105336 8.58446e-08 -2.67178e-11 -147231 15.6571 );
|
|
}
|
|
}
|
|
C4H6O_2.5-DHFuran
|
|
{
|
|
specie
|
|
{
|
|
molWeight 70.0918;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.76789 0.01992 -7.19168e-06 1.16503e-09 -6.99167e-14 -12384.1 -24.3388 );
|
|
lowCpCoeffs ( 3.7777 -0.00457592 0.000108978 -1.43153e-07 5.75638e-11 -9316.67 10.2406 );
|
|
}
|
|
}
|
|
C5H3+_CyPentTriene
|
|
{
|
|
specie
|
|
{
|
|
molWeight 63.0791;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 9.64328 0.0109962 -3.95575e-06 6.39565e-10 -3.83384e-14 179120 -26.3994 );
|
|
lowCpCoeffs ( -1.36302 0.0441938 -4.08976e-05 1.79206e-08 -2.56888e-12 182027 29.775 );
|
|
}
|
|
}
|
|
Br2-
|
|
{
|
|
specie
|
|
{
|
|
molWeight 159.802;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.48962 0.0031943 -4.49366e-09 7.81827e-13 -4.92675e-17 -27991.7 1.34577 );
|
|
lowCpCoeffs ( 4.34176 0.00393143 -1.42395e-06 1.22978e-09 -3.9887e-13 -27966.8 2.02975 );
|
|
}
|
|
}
|
|
Fe3O4(L)_Liquid
|
|
{
|
|
specie
|
|
{
|
|
molWeight 231.539;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 1870;
|
|
Thigh 6000;
|
|
Tcommon 1870;
|
|
highCpCoeffs ( 24.1544 0 0 0 0 -124286 -111.033 );
|
|
lowCpCoeffs 7 { 0 };
|
|
}
|
|
}
|
|
C8H18,n-octane
|
|
{
|
|
specie
|
|
{
|
|
molWeight 114.233;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 20.9431 0.0441691 -1.53262e-05 2.30545e-09 -1.29766e-13 -35575.5 -81.0638 );
|
|
lowCpCoeffs ( 12.5245 -0.0101019 0.000221993 -2.84864e-07 1.1241e-10 -29843.4 -19.711 );
|
|
}
|
|
}
|
|
C12H6Cl4O2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 323.992;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 35.6559 0.029327 -1.07879e-05 1.77037e-09 -1.07228e-13 -39420.6 -149.929 );
|
|
lowCpCoeffs ( 2.02057 0.125248 -0.000105426 3.37523e-08 2.63177e-13 -30269.3 23.0605 );
|
|
}
|
|
}
|
|
CF2+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 50.0074;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.16266 0.00183946 -7.10162e-07 1.20016e-10 -7.4024e-15 108447 -0.783455 );
|
|
lowCpCoeffs ( 3.14394 0.0051639 7.51372e-07 -5.04934e-09 2.39471e-12 109128 10.2288 );
|
|
}
|
|
}
|
|
N-C10H22_DECANE
|
|
{
|
|
specie
|
|
{
|
|
molWeight 142.287;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 29.4783 0.0490519 -1.70317e-05 2.72919e-09 -1.63371e-13 -44302.3 -124.062 );
|
|
lowCpCoeffs ( 15.4328 -0.0132979 0.000282481 -3.65923e-07 1.45372e-10 -35863.3 -27.9454 );
|
|
}
|
|
}
|
|
S(a)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 32.064;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 368.3;
|
|
Tcommon 368.3;
|
|
highCpCoeffs 7 { 0 };
|
|
lowCpCoeffs ( 0.37137 0.0153374 -3.35441e-05 2.89249e-08 0 -553.214 -1.59624 );
|
|
}
|
|
}
|
|
Mo
|
|
{
|
|
specie
|
|
{
|
|
molWeight 95.94;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.36255 0.000524516 -6.07904e-07 2.43013e-10 -2.20934e-14 78475 8.29325 );
|
|
lowCpCoeffs ( 2.50007 -6.97542e-07 2.52827e-09 -3.73771e-12 1.91983e-15 78453.5 7.63954 );
|
|
}
|
|
}
|
|
C10H9_1-methylen
|
|
{
|
|
specie
|
|
{
|
|
molWeight 129.183;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 19.6314 0.0320734 -1.17484e-05 1.91974e-09 -1.15848e-13 31075.6 -82.5158 );
|
|
lowCpCoeffs ( -1.20689 0.0557001 5.32772e-05 -1.23104e-07 5.70934e-11 38239.3 32.6628 );
|
|
}
|
|
}
|
|
HCN+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 27.0253;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.13578 0.00294474 -1.04592e-06 1.67503e-10 -9.96951e-15 172797 0.64449 );
|
|
lowCpCoeffs ( 2.51835 0.00971916 -1.31497e-05 1.04678e-08 -3.36352e-12 173158 8.49967 );
|
|
}
|
|
}
|
|
C12H10_biphenyl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 154.214;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 22.8964 0.0368453 -1.35016e-05 2.20803e-09 -1.33358e-13 10739.6 -100.51 );
|
|
lowCpCoeffs ( 0.1946 0.053526 8.55001e-05 -1.63904e-07 7.29976e-11 19002.1 27.2149 );
|
|
}
|
|
}
|
|
NH4Cl(III)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 53.4916;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 457.7;
|
|
Thigh 1500;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 7.62511 -0.00460407 3.40999e-05 -2.58306e-08 6.09789e-12 -39351 -29.9939 );
|
|
lowCpCoeffs ( 1.70591 0.0307824 -4.40956e-05 4.81013e-08 -1.91059e-11 -38502.2 -3.73732 );
|
|
}
|
|
}
|
|
SO2FCl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 118.514;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 10.3099 0.00274073 -1.07008e-06 1.82338e-10 -1.13257e-14 -70569.2 -24.1555 );
|
|
lowCpCoeffs ( 1.2379 0.0392995 -6.21831e-05 4.92521e-08 -1.54549e-11 -68584.3 20.0138 );
|
|
}
|
|
}
|
|
CH3N2_cy(-CH2N=N*-
|
|
{
|
|
specie
|
|
{
|
|
molWeight 43.0485;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.59949 0.00908271 -3.22556e-06 5.16867e-10 -3.07864e-14 43452.4 -5.46725 );
|
|
lowCpCoeffs ( 3.70718 -0.0072698 6.66436e-05 -8.56628e-08 3.45245e-11 44865.1 9.11001 );
|
|
}
|
|
}
|
|
C3H5O__CH3C(O)CH2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 57.0727;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 7.54411 0.0143443 -5.08381e-06 8.13201e-10 -4.83673e-14 -7486.72 -11.4793 );
|
|
lowCpCoeffs ( 4.70187 0.00551654 4.27506e-05 -5.94681e-08 2.40685e-11 -5928.45 7.12933 );
|
|
}
|
|
}
|
|
C(NO2)4
|
|
{
|
|
specie
|
|
{
|
|
molWeight 196.033;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 26.3029 0.00903438 -3.84963e-06 6.80136e-10 -4.29929e-14 232.054 -95.2181 );
|
|
lowCpCoeffs ( 1.50837 0.099355 -0.000138531 9.75231e-08 -2.77304e-11 6086.88 27.7173 );
|
|
}
|
|
}
|
|
NH2NO2_NITRAMIDE
|
|
{
|
|
specie
|
|
{
|
|
molWeight 62.0281;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 7.38891 0.00765188 -2.75087e-06 4.44623e-10 -2.66488e-14 -6217.67 -13.2737 );
|
|
lowCpCoeffs ( 2.1731 0.0143162 1.09032e-05 -2.76715e-08 1.29869e-11 -4459.06 15.3831 );
|
|
}
|
|
}
|
|
FO2+___F-O-O+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 50.9967;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.27858 0.00170812 -6.56488e-07 1.10739e-10 -6.83129e-15 144755 -1.20523 );
|
|
lowCpCoeffs ( 2.93722 0.00850347 -8.2712e-06 4.11996e-09 -8.55329e-13 145405 10.8561 );
|
|
}
|
|
}
|
|
HNCN_Cyanamide
|
|
{
|
|
specie
|
|
{
|
|
molWeight 41.0325;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.53846 0.00389054 -1.38105e-06 2.21295e-10 -1.31827e-14 35963.5 -3.39587 );
|
|
lowCpCoeffs ( 3.06754 0.010679 -7.96224e-06 2.59883e-09 -1.27058e-13 36662.4 9.41075 );
|
|
}
|
|
}
|
|
C5H12O_2-Pentanol
|
|
{
|
|
specie
|
|
{
|
|
molWeight 88.1508;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.6199 0.0325278 -1.15073e-05 1.83588e-09 -1.08985e-13 -44584.6 -37.8838 );
|
|
lowCpCoeffs ( 6.2085 0.0152628 8.67166e-05 -1.223e-07 4.94795e-11 -41165.7 3.53915 );
|
|
}
|
|
}
|
|
ZrCl4________GAS
|
|
{
|
|
specie
|
|
{
|
|
molWeight 233.032;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.5389 0.000468391 -1.77102e-07 2.871e-11 -1.67923e-15 -108498 -27.618 );
|
|
lowCpCoeffs ( 6.20638 0.0352844 -7.37445e-05 6.92033e-08 -2.40923e-11 -107527 1.05753 );
|
|
}
|
|
}
|
|
C5H8_1,3_Pentadi
|
|
{
|
|
specie
|
|
{
|
|
molWeight 68.1195;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 10.6254 0.0234322 -8.61216e-06 1.40664e-09 -8.47997e-14 4648.65 -31.8726 );
|
|
lowCpCoeffs ( 3.47443 0.0148104 6.38219e-05 -9.32324e-08 3.7893e-11 8030.01 11.981 );
|
|
}
|
|
}
|
|
o-C6H4I_radical
|
|
{
|
|
specie
|
|
{
|
|
molWeight 203.003;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 13.5036 0.0158549 -5.76921e-06 9.39545e-10 -5.657e-14 45405.8 -42.714 );
|
|
lowCpCoeffs ( 2.03415 0.0289039 2.97019e-05 -6.71751e-08 3.10075e-11 49343 20.6685 );
|
|
}
|
|
}
|
|
C10H22(L)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 142.287;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 446.83;
|
|
Tcommon 446.83;
|
|
highCpCoeffs 7 { 0 };
|
|
lowCpCoeffs ( 37.7595 0.000543285 -1.44051e-06 1.25634e-09 0 -47478.4 -164.025 );
|
|
}
|
|
}
|
|
C7H5(NO2)3_(TNT)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 227.134;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 31.8243 0.0261421 -1.0088e-05 1.69979e-09 -1.04624e-13 -10473.1 -137.141 );
|
|
lowCpCoeffs ( 3.19573 0.086222 -2.31687e-05 -4.31208e-08 2.63453e-11 -1609.11 15.4068 );
|
|
}
|
|
}
|
|
C2H5Cl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 64.5152;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.77417 0.0130492 -4.6737e-06 7.5281e-10 -4.49899e-14 -16581.6 -10.5158 );
|
|
lowCpCoeffs ( 3.5837 0.00502104 4.39002e-05 -6.22538e-08 2.56064e-11 -14947 9.85386 );
|
|
}
|
|
}
|
|
CH3O__METHOXY_RAD
|
|
{
|
|
specie
|
|
{
|
|
molWeight 31.0345;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.75779 0.00744142 -2.69705e-06 4.38091e-10 -2.63537e-14 390.139 -1.9668 );
|
|
lowCpCoeffs ( 3.71181 -0.00280463 3.76551e-05 -4.73072e-08 1.86588e-11 1307.72 6.57241 );
|
|
}
|
|
}
|
|
C20H12_Benzopyrene
|
|
{
|
|
specie
|
|
{
|
|
molWeight 252.319;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 44.006 0.0428507 -1.51006e-05 2.40462e-09 -1.42401e-13 13869.3 -219.878 );
|
|
lowCpCoeffs ( -5.33758 0.125205 2.0006e-05 -1.33688e-07 6.71375e-11 30900.8 49.6121 );
|
|
}
|
|
}
|
|
CH3C
|
|
{
|
|
specie
|
|
{
|
|
molWeight 27.0462;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.24221 0.00769703 -2.74104e-06 4.39739e-10 -2.62039e-14 59296.7 0.329517 );
|
|
lowCpCoeffs ( 3.59147 -6.65568e-05 2.69433e-05 -3.438e-08 1.35235e-11 59929.5 5.96528 );
|
|
}
|
|
}
|
|
CH2Cl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 49.4801;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.58143 0.00470002 -1.65868e-06 2.64426e-10 -1.56861e-14 12622.5 1.40526 );
|
|
lowCpCoeffs ( 3.52075 0.00499533 4.40178e-06 -9.08417e-09 4.03782e-12 13041.8 7.50945 );
|
|
}
|
|
}
|
|
N2F4
|
|
{
|
|
specie
|
|
{
|
|
molWeight 104.007;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 13.2513 0.00284003 -1.11795e-06 1.91475e-10 -1.19343e-14 -7322.66 -39.5506 );
|
|
lowCpCoeffs ( 1.33528 0.0473975 -6.6796e-05 4.50731e-08 -1.1857e-11 -4644.1 19.0446 );
|
|
}
|
|
}
|
|
C6H8__1,3-Cycloh
|
|
{
|
|
specie
|
|
{
|
|
molWeight 80.1307;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 11.7847 0.0255298 -9.27347e-06 1.50826e-09 -9.076e-14 6892.8 -49.2558 );
|
|
lowCpCoeffs ( 1.7283 0.0148764 9.48156e-05 -1.40782e-07 5.88205e-11 11369.9 11.5226 );
|
|
}
|
|
}
|
|
C6H3N3O7_Picricaci
|
|
{
|
|
specie
|
|
{
|
|
molWeight 229.107;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 28.4273 0.0236094 -9.05319e-06 1.51547e-09 -9.27895e-14 -28692.8 -114.672 );
|
|
lowCpCoeffs ( 2.61304 0.0771088 -1.51896e-05 -4.85978e-08 2.84717e-11 -20767.4 22.779 );
|
|
}
|
|
}
|
|
C20H40O2_methyna
|
|
{
|
|
specie
|
|
{
|
|
molWeight 312.541;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 1600;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 83.6773 -0.0507129 0.000223034 -1.65654e-07 3.69711e-11 -120968 -361.244 );
|
|
lowCpCoeffs ( 0.0619509 0.226367 -0.000119808 2.24611e-08 -1.7697e-12 -100892 57.6677 );
|
|
}
|
|
}
|
|
N3H+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 43.0275;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.4824 0.00398307 -1.42299e-06 2.2891e-10 -1.36707e-14 158474 -2.94894 );
|
|
lowCpCoeffs ( 2.96333 0.0121712 -1.24251e-05 7.52352e-09 -1.97524e-12 159135 9.82391 );
|
|
}
|
|
}
|
|
BH3
|
|
{
|
|
specie
|
|
{
|
|
molWeight 13.8349;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.17528 0.00617428 -2.23882e-06 3.63406e-10 -2.18285e-14 11209.5 2.41422 );
|
|
lowCpCoeffs ( 4.42666 -0.00700977 3.12944e-05 -3.32541e-08 1.19952e-11 11373.4 -1.61098 );
|
|
}
|
|
}
|
|
CH2NO__H2C=N-O*
|
|
{
|
|
specie
|
|
{
|
|
molWeight 44.0332;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.41478 0.0066823 -2.38626e-06 3.83764e-10 -2.2915e-14 16346 -3.03719 );
|
|
lowCpCoeffs ( 3.00389 0.00688209 1.26563e-05 -2.1758e-08 9.28732e-12 17316.1 10.9486 );
|
|
}
|
|
}
|
|
CI3
|
|
{
|
|
specie
|
|
{
|
|
molWeight 392.724;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 9.34462 0.000684913 -2.7146e-07 4.67014e-11 -2.91978e-15 45846.5 -10.417 );
|
|
lowCpCoeffs ( 4.46087 0.0228357 -4.03904e-05 3.3619e-08 -1.07234e-11 46778.9 12.7167 );
|
|
}
|
|
}
|
|
NCN
|
|
{
|
|
specie
|
|
{
|
|
molWeight 40.0246;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.68743 0.00182663 -7.07551e-07 1.19518e-10 -7.31862e-15 53045.4 -6.3195 );
|
|
lowCpCoeffs ( 2.79808 0.0100009 -9.59242e-06 4.75566e-09 -1.04349e-12 53857.5 8.6213 );
|
|
}
|
|
}
|
|
CHBr2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 172.821;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.98912 0.00260344 -9.18425e-07 1.46506e-10 -8.69891e-15 21493.1 -5.09359 );
|
|
lowCpCoeffs ( 2.78931 0.01916 -2.6412e-05 1.80644e-08 -4.78974e-12 22389.3 15.3306 );
|
|
}
|
|
}
|
|
CHO2-_Formyloxy
|
|
{
|
|
specie
|
|
{
|
|
molWeight 45.0185;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.64053 0.00514244 -1.93661e-06 3.22416e-10 -1.97123e-14 -58743.3 0.651022 );
|
|
lowCpCoeffs ( 3.48846 -0.000291891 2.01969e-05 -2.3791e-08 8.54664e-12 -57936.8 8.8731 );
|
|
}
|
|
}
|
|
CH3-_anion
|
|
{
|
|
specie
|
|
{
|
|
molWeight 15.0356;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.47041 0.00673073 -2.42167e-06 3.91043e-10 -2.34035e-14 15494.8 7.08859 );
|
|
lowCpCoeffs ( 4.35455 -0.00541267 2.17109e-05 -1.94567e-08 5.95104e-12 15405.2 -0.727196 );
|
|
}
|
|
}
|
|
MgAl2O4(L)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 142.273;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 2408;
|
|
Thigh 6000;
|
|
Tcommon 2408;
|
|
highCpCoeffs ( 26.4189 0 0 0 0 -268832 -141.984 );
|
|
lowCpCoeffs 7 { 0 };
|
|
}
|
|
}
|
|
C20H12_Perylene
|
|
{
|
|
specie
|
|
{
|
|
molWeight 252.319;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 37.6638 0.0521705 -1.92429e-05 3.16234e-09 -1.91688e-13 18862.3 -182.571 );
|
|
lowCpCoeffs ( -4.3211 0.111781 6.68922e-05 -1.9262e-07 9.18304e-11 32871.6 47.0287 );
|
|
}
|
|
}
|
|
HDO2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 35.0209;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.85698 0.00414495 -1.40364e-06 2.22596e-10 -1.31658e-14 -18651.4 0.0742774 );
|
|
lowCpCoeffs ( 4.10898 0.00138817 1.31852e-05 -1.84757e-08 7.60105e-12 -18236.3 5.03287 );
|
|
}
|
|
}
|
|
CH5N3_guanidin
|
|
{
|
|
specie
|
|
{
|
|
molWeight 59.0711;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 9.95418 0.0116167 -3.98187e-06 6.23233e-10 -3.65275e-14 -876.306 -26.0115 );
|
|
lowCpCoeffs ( 0.395239 0.0330449 -8.09864e-06 -1.90812e-08 1.19155e-11 1876.53 24.2297 );
|
|
}
|
|
}
|
|
C6H9_Cy_C5H7-4CH2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 81.1386;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.8005 0.0262433 -9.38825e-06 1.51151e-09 -9.03196e-14 19477.4 -45.0031 );
|
|
lowCpCoeffs ( 2.25979 0.021048 8.16756e-05 -1.28839e-07 5.49322e-11 23844.2 17.1671 );
|
|
}
|
|
}
|
|
C12H24O2_n-acid
|
|
{
|
|
specie
|
|
{
|
|
molWeight 200.324;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 28.4832 0.072371 -2.61279e-05 4.22933e-09 -2.53586e-13 -91480.2 -120.598 );
|
|
lowCpCoeffs ( 14.3952 0.00150035 0.00029648 -3.86572e-07 1.52899e-10 -82422.9 -21.7361 );
|
|
}
|
|
}
|
|
C6H9_Cy_C5H6-CH3
|
|
{
|
|
specie
|
|
{
|
|
molWeight 81.1386;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.3588 0.027042 -9.77062e-06 1.58361e-09 -9.50684e-14 16187.1 -43.2406 );
|
|
lowCpCoeffs ( 3.86578 0.00770961 0.000111177 -1.54636e-07 6.30018e-11 20465.7 10.5842 );
|
|
}
|
|
}
|
|
CrO2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 83.9948;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.19597 0.000581604 -1.16479e-07 2.57339e-11 -2.27999e-15 -15124.4 -4.13024 );
|
|
lowCpCoeffs ( 2.84227 0.00890604 -4.06648e-06 -4.31766e-09 3.32038e-12 -14194.9 13.304 );
|
|
}
|
|
}
|
|
C7H14,1-heptene
|
|
{
|
|
specie
|
|
{
|
|
molWeight 98.1896;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 20.0329 0.0301876 -9.96913e-06 1.59376e-09 -9.64314e-14 -17051.3 -76.6779 );
|
|
lowCpCoeffs ( 8.7054 0.00280074 0.000155206 -2.09014e-07 8.40506e-11 -11266.1 -4.46494 );
|
|
}
|
|
}
|
|
MUSTARD_S(CH2CH2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 159.078;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 16.1928 0.0241315 -8.73508e-06 1.41728e-09 -8.51392e-14 -22277.5 -51.7666 );
|
|
lowCpCoeffs ( 7.43522 0.0161311 7.70228e-05 -1.16434e-07 4.87658e-11 -18413.1 0.9211 );
|
|
}
|
|
}
|
|
C6H11_3-ene-6yl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 83.1546;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 13.3626 0.0296437 -1.06634e-05 1.71602e-09 -1.02335e-13 12015.9 -39.3326 );
|
|
lowCpCoeffs ( 5.59158 0.0195049 7.5369e-05 -1.14012e-07 4.75033e-11 15589.8 8.1449 );
|
|
}
|
|
}
|
|
C12H9,o-bipheny
|
|
{
|
|
specie
|
|
{
|
|
molWeight 153.206;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 22.5692 0.034562 -1.27021e-05 2.08112e-09 -1.25849e-13 40590.7 -95.7787 );
|
|
lowCpCoeffs ( 0.407668 0.0542795 7.12516e-05 -1.44404e-07 6.48498e-11 48535.2 28.1981 );
|
|
}
|
|
}
|
|
ClF
|
|
{
|
|
specie
|
|
{
|
|
molWeight 54.4514;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.42821 -5.04257e-05 9.19227e-08 -6.90681e-12 -9.7455e-16 -8134.77 0.725379 );
|
|
lowCpCoeffs ( 2.95477 0.00391188 -2.94759e-06 -2.36869e-10 7.79628e-13 -7727.95 8.34245 );
|
|
}
|
|
}
|
|
D+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 2.01356;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.5 0 0 0 0 184512 -0.101841 );
|
|
lowCpCoeffs ( 2.5 0 0 0 0 184512 -0.101841 );
|
|
}
|
|
}
|
|
HOCl+_Hypochloro
|
|
{
|
|
specie
|
|
{
|
|
molWeight 52.4598;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.15049 0.00234394 -7.98093e-07 1.24144e-10 -7.23769e-15 118474 4.45254 );
|
|
lowCpCoeffs ( 3.14822 0.00431053 -4.37446e-07 -2.69313e-09 1.48508e-12 118778 9.79512 );
|
|
}
|
|
}
|
|
N2O+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 44.0123;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.52857 0.00195961 -7.53777e-07 1.27049e-10 -7.80224e-15 158424 -4.41879 );
|
|
lowCpCoeffs ( 3.28691 0.00740222 -4.86664e-06 7.32928e-10 2.98234e-13 159103 7.40137 );
|
|
}
|
|
}
|
|
ClCN
|
|
{
|
|
specie
|
|
{
|
|
molWeight 61.4709;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.50696 0.00192901 -7.01635e-07 1.1637e-10 -7.08641e-15 14303.9 -3.78628 );
|
|
lowCpCoeffs ( 2.18028 0.0188166 -3.564e-05 3.30835e-08 -1.15967e-11 14909 11.6836 );
|
|
}
|
|
}
|
|
SO2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 64.0628;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.38423 0.00167931 -6.32063e-07 1.08465e-10 -6.6689e-15 -37606.7 -1.83131 );
|
|
lowCpCoeffs ( 3.67481 0.00228302 8.46893e-06 -1.36562e-08 5.76272e-12 -36945.5 7.96866 );
|
|
}
|
|
}
|
|
ClC3H4
|
|
{
|
|
specie
|
|
{
|
|
molWeight 75.5183;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.44849 0.0113179 -3.99885e-06 6.38428e-10 -3.7925e-14 12928.6 -16.2575 );
|
|
lowCpCoeffs ( 3.16995 0.0157437 1.85512e-05 -3.88261e-08 1.77294e-11 14790.2 13.2176 );
|
|
}
|
|
}
|
|
C14H9_3-Phenantr
|
|
{
|
|
specie
|
|
{
|
|
molWeight 177.228;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 26.9145 0.0375109 -1.44533e-05 2.56259e-09 -1.71565e-13 42095.9 -121.922 );
|
|
lowCpCoeffs ( -10.724 0.141103 -0.000113802 3.56322e-08 0 52752.8 72.9821 );
|
|
}
|
|
}
|
|
BiI
|
|
{
|
|
specie
|
|
{
|
|
molWeight 335.884;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.4801 8.55762e-05 -8.47765e-09 1.46852e-12 -9.22477e-17 11020.8 8.16032 );
|
|
lowCpCoeffs ( 4.10593 0.00234268 -5.1227e-06 5.06238e-09 -1.82971e-12 11071.8 9.81542 );
|
|
}
|
|
}
|
|
C6H6_3,4-Dimethy
|
|
{
|
|
specie
|
|
{
|
|
molWeight 78.1147;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 11.8846 0.0194001 -6.9102e-06 1.10955e-09 -6.61841e-14 35327.6 -39.5844 );
|
|
lowCpCoeffs ( 0.875439 0.0319344 2.88422e-05 -6.81201e-08 3.18859e-11 39069.2 21.1423 );
|
|
}
|
|
}
|
|
CBr2O
|
|
{
|
|
specie
|
|
{
|
|
molWeight 187.812;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.10257 0.00188224 -7.23472e-07 1.22063e-10 -7.53151e-15 -16362.2 -10.1626 );
|
|
lowCpCoeffs ( 2.60045 0.0278892 -5.157e-05 4.64199e-08 -1.59637e-11 -15297.9 15.8174 );
|
|
}
|
|
}
|
|
CH_quartet
|
|
{
|
|
specie
|
|
{
|
|
molWeight 13.0191;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.75637 0.00143793 -4.40104e-07 6.81537e-11 -3.84582e-15 79522.8 6.02142 );
|
|
lowCpCoeffs ( 3.46431 0.000484473 -2.02962e-06 3.3712e-09 -1.47186e-12 79289.3 2.14537 );
|
|
}
|
|
}
|
|
C7H7_Quadricy_Ap.
|
|
{
|
|
specie
|
|
{
|
|
molWeight 91.1338;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 250;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 14.5614 0.0225398 -8.08475e-06 1.3045e-09 -7.80859e-14 57143.9 -57.8472 );
|
|
lowCpCoeffs ( -1.70081 0.0304386 8.67462e-05 -1.54865e-07 6.96237e-11 62948.4 33.8049 );
|
|
}
|
|
}
|
|
C7H16_NeoHeptane
|
|
{
|
|
specie
|
|
{
|
|
molWeight 100.206;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 15.3985 0.0439321 -1.57358e-05 2.53525e-09 -1.51556e-13 -32425.7 -61.5518 );
|
|
lowCpCoeffs ( 5.02019 0.0303899 8.87418e-05 -1.29932e-07 5.17581e-11 -27367.4 2.62044 );
|
|
}
|
|
}
|
|
C3H3I_HCC-CH2I
|
|
{
|
|
specie
|
|
{
|
|
molWeight 165.962;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.77076 0.0089788 -3.19709e-06 5.13045e-10 -3.05841e-14 28920.9 -16.1953 );
|
|
lowCpCoeffs ( 1.77066 0.0323172 -3.30028e-05 1.72549e-08 -3.30499e-12 30656.5 18.9621 );
|
|
}
|
|
}
|
|
C6H6___Benzvalen
|
|
{
|
|
specie
|
|
{
|
|
molWeight 78.1147;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 11.886 0.0187773 -6.69842e-06 1.08549e-09 -6.53737e-14 40447.7 -42.3 );
|
|
lowCpCoeffs ( -0.895192 0.0253574 6.41883e-05 -1.1542e-07 5.17549e-11 45072.3 29.846 );
|
|
}
|
|
}
|
|
C6H8_DIHYDROBENZVA
|
|
{
|
|
specie
|
|
{
|
|
molWeight 80.1307;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.8729 0.0238088 -8.69023e-06 1.41813e-09 -8.55396e-14 20979 -49.0201 );
|
|
lowCpCoeffs ( 0.673186 0.0127778 0.000115644 -1.73057e-07 7.32867e-11 26194 23.9322 );
|
|
}
|
|
}
|
|
C3F___Radical
|
|
{
|
|
specie
|
|
{
|
|
molWeight 55.0319;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 7.03172 0.00290941 -1.10991e-06 1.86329e-10 -1.14569e-14 65469.4 -8.1528 );
|
|
lowCpCoeffs ( 4.3861 0.01001 -9.11998e-06 5.33168e-09 -1.6017e-12 66266.5 5.70938 );
|
|
}
|
|
}
|
|
C2HF3__CHF=CF2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 82.0255;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 9.56304 0.00603922 -2.24656e-06 3.71317e-10 -2.25981e-14 -62366.6 -22.3574 );
|
|
lowCpCoeffs ( 2.00354 0.0274141 -2.30032e-05 7.09389e-09 1.96149e-13 -60300 16.5697 );
|
|
}
|
|
}
|
|
D2+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 4.02766;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.92369 0.000222865 1.96266e-07 -5.64257e-11 3.39718e-15 178913 -3.88393 );
|
|
lowCpCoeffs ( 3.82877 -0.00325946 1.05346e-05 -1.02332e-08 3.4191e-12 179164 -2.37677 );
|
|
}
|
|
}
|
|
FCO__(CFObyCOF)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 47.0089;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.01566 0.00195763 -7.49685e-07 1.2561e-10 -7.59885e-15 -22978.5 0.369669 );
|
|
lowCpCoeffs ( 3.37992 0.00419051 2.12354e-06 -6.20587e-09 2.85352e-12 -22406.3 9.39467 );
|
|
}
|
|
}
|
|
HBr+_Hydrogen_Br
|
|
{
|
|
specie
|
|
{
|
|
molWeight 80.9083;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.91606 0.00146155 -5.0018e-07 7.87879e-11 -4.43683e-15 130906 7.66664 );
|
|
lowCpCoeffs ( 3.69571 -0.00134428 2.68245e-06 -9.97162e-10 -8.49345e-14 130754 3.87427 );
|
|
}
|
|
}
|
|
NOF
|
|
{
|
|
specie
|
|
{
|
|
molWeight 49.0045;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.25308 0.00190008 -7.56672e-07 1.55141e-10 -1.08976e-14 -9626.25 -0.985362 );
|
|
lowCpCoeffs ( 2.8887 0.0103596 -1.38807e-05 1.04165e-08 -3.24335e-12 -9035.79 10.8374 );
|
|
}
|
|
}
|
|
S-
|
|
{
|
|
specie
|
|
{
|
|
molWeight 32.0645;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.72948 -0.000224895 8.58649e-08 -1.44256e-11 8.87491e-16 7682.47 4.39903 );
|
|
lowCpCoeffs ( 2.51353 0.00193517 -5.38438e-06 5.40313e-09 -1.89054e-12 7665.7 5.13282 );
|
|
}
|
|
}
|
|
C5H3_1,4DIYNE3YL
|
|
{
|
|
specie
|
|
{
|
|
molWeight 63.0797;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 11.4539 0.00927306 -3.30711e-06 5.3139e-10 -3.17103e-14 63604.5 -32.2386 );
|
|
lowCpCoeffs ( -0.0324583 0.0594497 -9.36067e-05 7.69317e-08 -2.48226e-11 65960.6 22.8107 );
|
|
}
|
|
}
|
|
C2HF5
|
|
{
|
|
specie
|
|
{
|
|
molWeight 120.022;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 14.5281 0.00680985 -2.67133e-06 4.54434e-10 -2.81434e-14 -140297 -46.7174 );
|
|
lowCpCoeffs ( 2.56681 0.0363878 -1.93607e-05 -9.02363e-09 8.52266e-12 -136902 15.6969 );
|
|
}
|
|
}
|
|
CFO-
|
|
{
|
|
specie
|
|
{
|
|
molWeight 47.0095;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.48109 0.00148813 -5.67611e-07 9.52838e-11 -5.85868e-15 -51156.6 -1.6491 );
|
|
lowCpCoeffs ( 3.66664 0.00778333 -1.00589e-05 7.373e-09 -2.27306e-12 -50692 7.47602 );
|
|
}
|
|
}
|
|
C20H38O2_Gondoicac
|
|
{
|
|
specie
|
|
{
|
|
molWeight 310.525;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 45.5433 0.115684 -4.16671e-05 6.73764e-09 -4.03783e-13 -107689 -208.375 );
|
|
lowCpCoeffs ( 22.1083 -0.00291182 0.000499367 -6.5003e-07 2.57361e-10 -92661.2 -43.9311 );
|
|
}
|
|
}
|
|
PbI
|
|
{
|
|
specie
|
|
{
|
|
molWeight 334.094;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.77909 -0.000613423 5.04853e-07 -1.21025e-10 8.86739e-15 11661.6 6.57802 );
|
|
lowCpCoeffs ( 4.12155 0.00224055 -4.90143e-06 4.84068e-09 -1.74299e-12 11804.2 9.75337 );
|
|
}
|
|
}
|
|
DO2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 34.0129;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.45573 0.00206608 -5.66117e-07 7.2017e-11 -3.62843e-15 -810.086 1.63807 );
|
|
lowCpCoeffs ( 4.02992 -0.0027886 1.84193e-05 -2.24182e-08 8.78165e-12 -419.908 5.24188 );
|
|
}
|
|
}
|
|
CH3I+_cation
|
|
{
|
|
specie
|
|
{
|
|
molWeight 141.939;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.53694 0.0073701 -2.60842e-06 4.16688e-10 -2.47556e-14 110586 2.78618 );
|
|
lowCpCoeffs ( 2.14011 0.0124102 -4.42959e-06 -2.00362e-09 1.57346e-12 111355 15.6206 );
|
|
}
|
|
}
|
|
B2O2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 53.6208;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 7.26111 0.00312114 -1.179e-06 1.96723e-10 -1.20474e-14 -57520.2 -12.6253 );
|
|
lowCpCoeffs ( 2.74839 0.0267875 -5.29978e-05 5.18847e-08 -1.90348e-11 -56685.1 8.31702 );
|
|
}
|
|
}
|
|
C2H5NO2_NitroEth
|
|
{
|
|
specie
|
|
{
|
|
molWeight 75.0677;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 9.29092 0.0161242 -5.95123e-06 9.76015e-10 -5.90148e-14 -17371.9 -21.1218 );
|
|
lowCpCoeffs ( 4.4372 0.00825502 5.01014e-05 -7.12335e-08 2.88208e-11 -14991.3 9.09921 );
|
|
}
|
|
}
|
|
DBr
|
|
{
|
|
specie
|
|
{
|
|
molWeight 81.915;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.22933 0.00127633 -4.73731e-07 8.51652e-11 -5.76512e-15 -5513.01 5.74863 );
|
|
lowCpCoeffs ( 3.68871 -0.00177751 5.00543e-06 -3.55775e-09 7.52452e-13 -5512.77 3.91437 );
|
|
}
|
|
}
|
|
SnH3
|
|
{
|
|
specie
|
|
{
|
|
molWeight 121.714;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.74269 0.00417439 -1.59272e-06 2.67399e-10 -1.64421e-14 28810 -5.79999 );
|
|
lowCpCoeffs ( 2.51665 0.0119692 -8.98743e-06 4.28078e-09 -1.2039e-12 29837.6 11.3463 );
|
|
}
|
|
}
|
|
NO-
|
|
{
|
|
specie
|
|
{
|
|
molWeight 30.0066;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.68353 0.014245 -3.15198e-07 5.33094e-11 -3.2942e-15 8040.8 3.86333 );
|
|
lowCpCoeffs ( 3.56602 0.0116696 8.25578e-06 -9.10348e-09 3.27538e-12 8222.45 5.19754 );
|
|
}
|
|
}
|
|
C3H3Cl_Chloro-Al
|
|
{
|
|
specie
|
|
{
|
|
molWeight 74.5104;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.12465 0.00952645 -3.38842e-06 5.4342e-10 -3.23833e-14 17752.8 -15.4952 );
|
|
lowCpCoeffs ( 2.17406 0.0233296 -8.27347e-06 -8.72361e-09 6.26711e-12 19487 15.7635 );
|
|
}
|
|
}
|
|
BFCl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 65.2624;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.76165 0.0012862 -5.17515e-07 9.1208e-11 -5.70186e-15 -35545.4 -1.77916 );
|
|
lowCpCoeffs ( 3.4832 0.00658029 -2.67034e-06 -2.77025e-09 1.99294e-12 -34880.8 10.1963 );
|
|
}
|
|
}
|
|
C8H6__C6H5CCH
|
|
{
|
|
specie
|
|
{
|
|
molWeight 102.137;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 16.3583 0.0211974 -7.65817e-06 1.24135e-09 -7.45328e-14 31037.5 -62.252 );
|
|
lowCpCoeffs ( -2.74708 0.0778284 -6.6971e-05 2.37972e-08 -8.4328e-13 36113.1 35.4221 );
|
|
}
|
|
}
|
|
H2CN2_cy(-CH2N=N-)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 42.0405;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.9494 0.00716065 -2.57368e-06 4.15744e-10 -2.49024e-14 35703.5 -2.6732 );
|
|
lowCpCoeffs ( 4.01289 -0.00729541 5.24659e-05 -6.47585e-08 2.55023e-11 36709.7 6.07517 );
|
|
}
|
|
}
|
|
CHD3_Methane-D3
|
|
{
|
|
specie
|
|
{
|
|
molWeight 19.0614;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.80731 0.00848603 -3.1198e-06 5.1129e-10 -3.09237e-14 -12156.3 0.104385 );
|
|
lowCpCoeffs ( 4.46025 -0.00977643 5.01596e-05 -5.56429e-08 2.04533e-11 -11496.1 0.813771 );
|
|
}
|
|
}
|
|
H3PO4
|
|
{
|
|
specie
|
|
{
|
|
molWeight 97.9953;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 13.852 0.00493644 -1.55823e-06 2.29341e-10 -1.28366e-14 -139421 -42.2914 );
|
|
lowCpCoeffs ( -1.8248 0.0692984 -0.000101449 6.9191e-08 -1.77691e-11 -136317 33.0354 );
|
|
}
|
|
}
|
|
C2HO__HCC=O+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 41.0291;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.82706 0.00365724 -1.3004e-06 2.08437e-10 -1.24142e-14 136033 -5.16977 );
|
|
lowCpCoeffs ( 2.57683 0.0179742 -2.70854e-05 2.1809e-08 -6.89473e-12 136696 10.3779 );
|
|
}
|
|
}
|
|
C6H5OOH_hydroper
|
|
{
|
|
specie
|
|
{
|
|
molWeight 110.114;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 16.1396 0.0208448 -7.64071e-06 1.24667e-09 -7.51132e-14 -7689.53 -59.5755 );
|
|
lowCpCoeffs ( 0.263159 0.04238 3.05412e-05 -8.13196e-08 3.86504e-11 -2411.55 27.3096 );
|
|
}
|
|
}
|
|
C7H8__CyTriEne
|
|
{
|
|
specie
|
|
{
|
|
molWeight 92.1418;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 13.2622 0.0266002 -9.59358e-06 1.55313e-09 -9.31675e-14 37898.6 -48.9738 );
|
|
lowCpCoeffs ( 1.32861 0.0271115 6.9655e-05 -1.1648e-07 5.01139e-11 42627.3 20.1179 );
|
|
}
|
|
}
|
|
C16H9_4-Pyrenyl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 201.25;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 30.1538 0.0403944 -1.5645e-05 2.78254e-09 -1.86652e-13 43335.4 -140.941 );
|
|
lowCpCoeffs ( -12.4213 0.15766 -0.000128232 4.03267e-08 0 55383.3 79.5073 );
|
|
}
|
|
}
|
|
C5H5N__1-Cyano
|
|
{
|
|
specie
|
|
{
|
|
molWeight 79.1023;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 11.824 0.0167108 -6.02085e-06 9.70591e-10 -5.80114e-14 23573.3 -33.7414 );
|
|
lowCpCoeffs ( 2.78936 0.0321194 3.46294e-06 -3.07848e-08 1.58397e-11 26501.7 15.1282 );
|
|
}
|
|
}
|
|
CH3CN_Methyl-Cya
|
|
{
|
|
specie
|
|
{
|
|
molWeight 41.0529;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.09922 0.00969586 -3.48052e-06 5.6142e-10 -3.35836e-14 6609.67 -3.36087 );
|
|
lowCpCoeffs ( 3.82393 0.00408202 2.1621e-05 -2.89808e-08 1.12963e-11 7444.3 5.52656 );
|
|
}
|
|
}
|
|
T-C4H10O_T-Butan
|
|
{
|
|
specie
|
|
{
|
|
molWeight 74.1237;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.1731 0.025259 -8.98243e-06 1.44007e-09 -8.57865e-14 -43822.4 -38.8901 );
|
|
lowCpCoeffs ( 4.10485 0.0230241 5.30114e-05 -8.79228e-08 3.75864e-11 -40495 8.45121 );
|
|
}
|
|
}
|
|
C2H6
|
|
{
|
|
specie
|
|
{
|
|
molWeight 30.0701;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.04666 0.0153539 -5.47039e-06 8.77827e-10 -5.23168e-14 -12447.3 -0.968698 );
|
|
lowCpCoeffs ( 4.29143 -0.00550155 5.99438e-05 -7.08466e-08 2.68686e-11 -11522.2 2.66679 );
|
|
}
|
|
}
|
|
C12H22O11_Cellobi
|
|
{
|
|
specie
|
|
{
|
|
molWeight 342.303;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 49.3031 0.07159 -2.62907e-05 4.31417e-09 -2.61214e-13 -282241 -218.395 );
|
|
lowCpCoeffs ( 12.5206 0.060845 0.000278273 -4.34947e-07 1.81963e-10 -268237 -4.98333 );
|
|
}
|
|
}
|
|
s-1-2-C10H10
|
|
{
|
|
specie
|
|
{
|
|
molWeight 130.191;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 19.2211 0.0351247 -1.27719e-05 2.07903e-09 -1.25192e-13 4395.95 -81.939 );
|
|
lowCpCoeffs ( -0.192135 0.0450395 8.64482e-05 -1.56641e-07 6.88728e-11 11658.8 28.2952 );
|
|
}
|
|
}
|
|
NOF3
|
|
{
|
|
specie
|
|
{
|
|
molWeight 87.0013;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 10.1222 0.00292102 -1.13813e-06 1.93692e-10 -1.20212e-14 -26123.7 -26.257 );
|
|
lowCpCoeffs ( -0.156924 0.0442291 -6.87892e-05 5.27155e-08 -1.59119e-11 -23898.8 23.7335 );
|
|
}
|
|
}
|
|
C2H4F_beta-Fluor
|
|
{
|
|
specie
|
|
{
|
|
molWeight 47.0526;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.17561 0.0107043 -3.7837e-06 6.04072e-10 -3.58779e-14 -10059.8 -5.63727 );
|
|
lowCpCoeffs ( 4.38589 0.00444185 2.81593e-05 -3.89282e-08 1.56056e-11 -9031.77 6.2837 );
|
|
}
|
|
}
|
|
Al(OH)3
|
|
{
|
|
specie
|
|
{
|
|
molWeight 78.0036;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 10.7841 0.00673871 -2.2905e-06 3.55914e-10 -2.07365e-14 -125643 -27.9336 );
|
|
lowCpCoeffs ( 2.86866 0.0370566 -4.6598e-05 2.91954e-08 -6.95506e-12 -123940 10.701 );
|
|
}
|
|
}
|
|
NCCH2OH
|
|
{
|
|
specie
|
|
{
|
|
molWeight 57.0523;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 7.59341 0.00944576 -3.33631e-06 5.32676e-10 -3.16483e-14 -9134.77 -13.3107 );
|
|
lowCpCoeffs ( 2.90219 0.0163747 5.68148e-06 -2.10178e-08 1.02634e-11 -7585.31 12.2671 );
|
|
}
|
|
}
|
|
C9H10_Methyl_styre
|
|
{
|
|
specie
|
|
{
|
|
molWeight 118.18;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 17.5825 0.0320547 -1.15427e-05 1.86672e-09 -1.11899e-13 4901.33 -69.1397 );
|
|
lowCpCoeffs ( 2.4127 0.0323977 9.11363e-05 -1.51062e-07 6.49648e-11 10890.2 18.6744 );
|
|
}
|
|
}
|
|
H6F6
|
|
{
|
|
specie
|
|
{
|
|
molWeight 120.038;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 19.4641 0.0119269 -4.0493e-06 6.28232e-10 -3.65461e-14 -223892 -56.8271 );
|
|
lowCpCoeffs ( 4.76645 0.0786031 -0.000121157 9.36149e-08 -2.78945e-11 -221172 12.5468 );
|
|
}
|
|
}
|
|
GeCl2____singlet
|
|
{
|
|
specie
|
|
{
|
|
molWeight 143.496;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.79351 0.000218561 -8.72824e-08 1.50911e-11 -9.46764e-16 -22156.3 -3.2504 );
|
|
lowCpCoeffs ( 3.84255 0.0167529 -3.57119e-05 3.40926e-08 -1.20373e-11 -21709.8 10.062 );
|
|
}
|
|
}
|
|
C3H6_cyclo-
|
|
{
|
|
specie
|
|
{
|
|
molWeight 42.0813;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.21663 0.0165394 -5.90076e-06 9.48095e-10 -5.65662e-14 2959.37 -13.6041 );
|
|
lowCpCoeffs ( 2.83279 -0.00521029 9.29583e-05 -1.22753e-07 4.99191e-11 5195.2 10.8306 );
|
|
}
|
|
}
|
|
AlO+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 42.9804;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.29094 0.000492246 -2.12294e-07 4.18217e-11 -2.85545e-15 118037 2.98401 );
|
|
lowCpCoeffs ( 2.93533 0.00529913 -7.43695e-06 5.42616e-09 -1.61381e-12 118374 9.7616 );
|
|
}
|
|
}
|
|
SF2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 70.0608;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.21033 0.000819073 -3.23169e-07 5.54326e-11 -3.45856e-15 -37340.7 -5.21311 );
|
|
lowCpCoeffs ( 2.50896 0.0140076 -1.80245e-05 1.03993e-08 -2.13319e-12 -36493.2 13.1016 );
|
|
}
|
|
}
|
|
NO2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 46.0055;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.88475 0.0021724 -8.28069e-07 1.57475e-10 -1.05109e-14 2316.5 -0.117417 );
|
|
lowCpCoeffs ( 3.94403 -0.00158543 1.66578e-05 -2.04754e-08 7.83506e-12 2896.62 6.31199 );
|
|
}
|
|
}
|
|
C3H5N_Propionitryl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 55.08;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 7.04418 0.0153008 -5.44096e-06 8.72156e-10 -5.19456e-14 3058.86 -11.5133 );
|
|
lowCpCoeffs ( 3.62429 0.0126257 2.4772e-05 -3.99055e-08 1.66078e-11 4607.8 9.1067 );
|
|
}
|
|
}
|
|
BBr3
|
|
{
|
|
specie
|
|
{
|
|
molWeight 250.514;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 9.12363 0.000911382 -3.60183e-07 6.18512e-11 -3.86212e-15 -27656.5 -13.7052 );
|
|
lowCpCoeffs ( 4.10461 0.0220783 -3.62531e-05 2.85251e-08 -8.72212e-12 -26628.8 10.4363 );
|
|
}
|
|
}
|
|
C14H28O2_Ethyl_D
|
|
{
|
|
specie
|
|
{
|
|
molWeight 228.378;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 32.4284 0.085532 -3.33481e-05 5.94879e-09 -3.98815e-13 -95775.8 -131.959 );
|
|
lowCpCoeffs ( 0.556075 0.148709 -4.30451e-05 -4.37222e-08 2.75282e-11 -85427.4 39.3497 );
|
|
}
|
|
}
|
|
NaO2(cr)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 54.9886;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 223.3;
|
|
Thigh 825;
|
|
Tcommon 825;
|
|
highCpCoeffs 7 { 0 };
|
|
lowCpCoeffs ( 7.54127 0.00380335 0 0 0 -33808.4 -30.1616 );
|
|
}
|
|
}
|
|
HOF
|
|
{
|
|
specie
|
|
{
|
|
molWeight 36.0058;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.12528 0.0023152 -7.76666e-07 1.19549e-10 -6.91728e-15 -11913.7 2.89862 );
|
|
lowCpCoeffs ( 3.92035 -0.00139928 1.39115e-05 -1.79018e-08 7.24566e-12 -11692.8 4.87858 );
|
|
}
|
|
}
|
|
C4H8O_DiMethylOxyr
|
|
{
|
|
specie
|
|
{
|
|
molWeight 72.1078;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 10.3382 0.022539 -8.02838e-06 1.28861e-09 -7.68281e-14 -21708.8 -31.3135 );
|
|
lowCpCoeffs ( 3.97207 0.0128762 6.71546e-05 -9.894e-08 4.09977e-11 -18730 7.87416 );
|
|
}
|
|
}
|
|
C5H9_1Buten3M3yl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 69.1275;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.1889 0.0232916 -8.33562e-06 1.33991e-09 -7.99715e-14 6430.95 -39.2932 );
|
|
lowCpCoeffs ( 3.05576 0.0261559 4.11031e-05 -7.33043e-08 3.13944e-11 10018.6 13.2254 );
|
|
}
|
|
}
|
|
C(NO)_cy
|
|
{
|
|
specie
|
|
{
|
|
molWeight 42.0173;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.44276 0.00157049 -6.09403e-07 1.03422e-10 -6.40607e-15 52384.1 -2.18174 );
|
|
lowCpCoeffs ( 3.35125 0.00462452 3.17563e-06 -8.80253e-09 4.152e-12 53081.7 9.24843 );
|
|
}
|
|
}
|
|
C10D8__Naphthale
|
|
{
|
|
specie
|
|
{
|
|
molWeight 136.224;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 23.784 0.027353 -1.0368e-05 1.73356e-09 -1.06305e-13 3306.29 -107.166 );
|
|
lowCpCoeffs ( -5.69105 0.0994857 -5.72684e-05 -8.03441e-09 1.39044e-11 11988.3 47.5115 );
|
|
}
|
|
}
|
|
H2O(L)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 18.0153;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 273.15;
|
|
Thigh 600;
|
|
Tcommon 600;
|
|
highCpCoeffs 7 { 0 };
|
|
lowCpCoeffs ( 72.5575 -0.662445 0.00256199 -4.36592e-06 2.78179e-09 -41886.5 -288.28 );
|
|
}
|
|
}
|
|
CBr2ClF___11B3
|
|
{
|
|
specie
|
|
{
|
|
molWeight 226.264;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 11.4528 0.00160165 -6.31224e-07 1.08199e-10 -6.74778e-15 -26365.4 -25.2535 );
|
|
lowCpCoeffs ( 3.19542 0.0369114 -6.18317e-05 4.99e-08 -1.56504e-11 -24682 14.3906 );
|
|
}
|
|
}
|
|
CH3N2*___CH3-N=N
|
|
{
|
|
specie
|
|
{
|
|
molWeight 43.0485;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.03059 0.0101656 -3.80821e-06 6.28677e-10 -3.81266e-14 26078.2 -1.37769 );
|
|
lowCpCoeffs ( 3.03557 0.00789117 1.45352e-05 -2.24777e-08 8.99425e-12 27066.1 10.9501 );
|
|
}
|
|
}
|
|
C2N___N(CC)_cy
|
|
{
|
|
specie
|
|
{
|
|
molWeight 38.029;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.31957 0.00168319 -6.50522e-07 1.10121e-10 -6.80946e-15 85372.6 -2.56454 );
|
|
lowCpCoeffs ( 3.24445 0.00485728 2.60432e-06 -8.16719e-09 3.9167e-12 86060.3 8.74665 );
|
|
}
|
|
}
|
|
C3H2N_CH=CHCN
|
|
{
|
|
specie
|
|
{
|
|
molWeight 52.0561;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.9967 0.00750618 -2.683e-06 4.31684e-10 -2.57821e-14 50479.6 -10.1552 );
|
|
lowCpCoeffs ( 2.15325 0.0206639 -1.33975e-05 7.77215e-10 2.02897e-12 51818.4 14.8729 );
|
|
}
|
|
}
|
|
CH3O2_Methyl_Per
|
|
{
|
|
specie
|
|
{
|
|
molWeight 47.0339;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.5553 0.00912236 -3.23852e-06 5.18714e-10 -3.08834e-14 -1035.69 -3.99159 );
|
|
lowCpCoeffs ( 4.9717 -0.00529357 4.77334e-05 -5.77066e-08 2.2222e-11 -129.022 2.81501 );
|
|
}
|
|
}
|
|
C14H28_Cy4Decane
|
|
{
|
|
specie
|
|
{
|
|
molWeight 196.379;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 27.2107 0.086259 -3.10225e-05 5.0118e-09 -3.00172e-13 -44992.1 -123.228 );
|
|
lowCpCoeffs ( 11.0356 0.000337216 0.000354395 -4.60662e-07 1.82053e-10 -34380.9 -8.6455 );
|
|
}
|
|
}
|
|
CH2OOCH3
|
|
{
|
|
specie
|
|
{
|
|
molWeight 62.0689;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 10.4078 0.015696 -5.7718e-06 9.47186e-10 -5.74289e-14 -19998.6 -29.6876 );
|
|
lowCpCoeffs ( 5.86458 0.00281675 5.83993e-05 -7.31379e-08 2.72791e-11 -17352.1 0.350761 );
|
|
}
|
|
}
|
|
HNOH+_trans_&_Eq
|
|
{
|
|
specie
|
|
{
|
|
molWeight 32.0215;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.98573 0.00603523 -2.12019e-06 3.3709e-10 -1.9963e-14 121279 7.99984 );
|
|
lowCpCoeffs ( 4.52239 -0.00784146 3.09977e-05 -3.10337e-08 1.05729e-11 121366 2.51144 );
|
|
}
|
|
}
|
|
Bi(CH3)3
|
|
{
|
|
specie
|
|
{
|
|
molWeight 254.085;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.5896 0.019162 -6.59308e-06 1.0325e-09 -6.04684e-14 18317.8 -34.8562 );
|
|
lowCpCoeffs ( 1.7449 0.0647396 -8.28013e-05 5.95219e-08 -1.70746e-11 20557 17.3401 );
|
|
}
|
|
}
|
|
C23H46_1-Tricosen
|
|
{
|
|
specie
|
|
{
|
|
molWeight 322.623;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 61.057 0.116545 -4.2997e-05 7.48721e-09 -4.97038e-13 -77480.6 -270.368 );
|
|
lowCpCoeffs ( 0.647376 0.232359 -6.42441e-05 -7.52329e-08 4.80657e-11 -56928.1 57.1688 );
|
|
}
|
|
}
|
|
C3H2(3)_*HC=C=CH*
|
|
{
|
|
specie
|
|
{
|
|
molWeight 38.0494;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 7.47248 0.00457765 -1.56482e-06 2.43992e-10 -1.42463e-14 88332.1 -12.7113 );
|
|
lowCpCoeffs ( 3.74356 0.0251955 -4.62608e-05 4.34361e-08 -1.53993e-11 88929.8 4.22612 );
|
|
}
|
|
}
|
|
FC2H4OH__ATcT_C
|
|
{
|
|
specie
|
|
{
|
|
molWeight 64.06;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.09432 0.0137687 -4.86041e-06 7.7561e-10 -4.60619e-14 -54714.8 -14.9327 );
|
|
lowCpCoeffs ( 3.70078 0.0104758 3.59871e-05 -5.59705e-08 2.35391e-11 -52821.1 11.3051 );
|
|
}
|
|
}
|
|
CH3F+_cation
|
|
{
|
|
specie
|
|
{
|
|
molWeight 34.0329;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.68629 0.00755132 -2.7492e-06 4.47773e-10 -2.697e-14 115684 -2.07477 );
|
|
lowCpCoeffs ( 2.13923 0.00893543 6.91275e-06 -1.36307e-08 5.55246e-12 116722 12.6026 );
|
|
}
|
|
}
|
|
Ge-
|
|
{
|
|
specie
|
|
{
|
|
molWeight 72.5905;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.5466 -5.00475e-05 2.01656e-08 -3.5067e-12 2.2088e-16 28773 7.2913 );
|
|
lowCpCoeffs ( 3.18031 -0.00316004 5.93598e-06 -5.07866e-09 1.63585e-12 28664 4.34869 );
|
|
}
|
|
}
|
|
C6H2Cl3OOH__Cy
|
|
{
|
|
specie
|
|
{
|
|
molWeight 213.449;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 23.0154 0.0151042 -5.54123e-06 9.08005e-10 -5.49482e-14 -42321.2 -88.3192 );
|
|
lowCpCoeffs ( 0.0872969 0.0912362 -0.000104155 5.9878e-08 -1.36147e-11 -36618.2 26.971 );
|
|
}
|
|
}
|
|
N2O3
|
|
{
|
|
specie
|
|
{
|
|
molWeight 76.0116;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 9.08584 0.00337756 -1.31584e-06 2.30762e-10 -1.47151e-14 7271.6 -15.5362 );
|
|
lowCpCoeffs ( 5.81084 0.0143331 -1.96209e-05 1.73061e-08 -6.46554e-12 8191.84 1.20461 );
|
|
}
|
|
}
|
|
Cl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 35.453;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.94658 -0.000385985 1.36139e-07 -2.17033e-11 1.28751e-15 13697 3.1133 );
|
|
lowCpCoeffs ( 2.26062 0.00154154 -6.80284e-07 -1.59973e-09 1.15417e-12 13855.3 6.57021 );
|
|
}
|
|
}
|
|
Cl2C=C=CCl(O*)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 158.392;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 14.607 0.00439743 -1.69925e-06 2.87655e-10 -1.77887e-14 6367.57 -38.0071 );
|
|
lowCpCoeffs ( 3.35206 0.0495005 -7.73725e-05 6.15743e-08 -1.94793e-11 8866.01 16.9091 );
|
|
}
|
|
}
|
|
NO3-
|
|
{
|
|
specie
|
|
{
|
|
molWeight 62.0054;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.88405 0.00316063 -1.23049e-06 2.09258e-10 -1.29795e-14 -40223.9 -11.7087 );
|
|
lowCpCoeffs ( 1.21259 0.0171545 -1.0527e-05 -1.16077e-09 2.33116e-12 -38576.8 17.9934 );
|
|
}
|
|
}
|
|
CrO
|
|
{
|
|
specie
|
|
{
|
|
molWeight 67.9954;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.0713 0.000523483 -2.1495e-07 4.36923e-11 -2.98471e-15 21322.1 5.23009 );
|
|
lowCpCoeffs ( 3.18819 0.00146295 3.31396e-06 -6.66294e-09 3.11838e-12 21611.6 10.0817 );
|
|
}
|
|
}
|
|
AlCl3
|
|
{
|
|
specie
|
|
{
|
|
molWeight 133.341;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 9.42291 0.000605941 -2.40836e-07 4.15099e-11 -2.59855e-15 -73300.9 -16.5606 );
|
|
lowCpCoeffs ( 3.82819 0.0286464 -5.57743e-05 5.00466e-08 -1.69199e-11 -72333.1 9.37363 );
|
|
}
|
|
}
|
|
C4H3_E-1yl_Radical
|
|
{
|
|
specie
|
|
{
|
|
molWeight 51.0685;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.44631 0.00907292 -3.18681e-06 5.06725e-10 -3.0015e-14 62000.7 -17.7939 );
|
|
lowCpCoeffs ( 0.554264 0.0386185 -4.70818e-05 3.0624e-08 -7.90588e-12 63797.5 21.0542 );
|
|
}
|
|
}
|
|
COCl2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 98.9166;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 7.86018 0.00213271 -8.22077e-07 1.38951e-10 -8.58407e-15 -29105.6 -11.9012 );
|
|
lowCpCoeffs ( 1.70788 0.0289369 -4.93289e-05 4.1691e-08 -1.37057e-11 -27835.1 17.6202 );
|
|
}
|
|
}
|
|
Pd(liq)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 106.4;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 1827;
|
|
Thigh 6000;
|
|
Tcommon 1827;
|
|
highCpCoeffs ( 4.58963 0.000360549 -1.03952e-07 1.15606e-11 -4.14756e-16 -1188.98 -23.0303 );
|
|
lowCpCoeffs 7 { 0 };
|
|
}
|
|
}
|
|
C10H13_C5H7-C5H6*
|
|
{
|
|
specie
|
|
{
|
|
molWeight 133.215;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 32.1921 0.0182082 -1.4826e-06 -4.39112e-11 7.42036e-15 8545.54 -151.862 );
|
|
lowCpCoeffs ( -11.5726 0.122099 -8.68154e-05 2.77245e-08 -2.90134e-12 22448.6 80.7005 );
|
|
}
|
|
}
|
|
C10H19_1-decenyl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 139.263;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 24.7483 0.0514077 -1.95829e-05 3.47928e-09 -2.34079e-13 -12016.7 -93.5126 );
|
|
lowCpCoeffs ( -24.3835 0.282493 -0.000499496 4.71514e-07 -1.70502e-10 -1411.57 141.304 );
|
|
}
|
|
}
|
|
C3H6O_Propionald
|
|
{
|
|
specie
|
|
{
|
|
molWeight 58.0807;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 7.44086 0.0177302 -6.34082e-06 1.02041e-09 -6.09462e-14 -26005.6 -14.4195 );
|
|
lowCpCoeffs ( 4.2453 0.00668297 4.93338e-05 -6.71986e-08 2.67262e-11 -24147.3 6.90739 );
|
|
}
|
|
}
|
|
CH3N_Rad_Triplet
|
|
{
|
|
specie
|
|
{
|
|
molWeight 29.0418;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.8709 0.00806656 -2.88309e-06 4.63684e-10 -2.76799e-14 36663.8 2.20205 );
|
|
lowCpCoeffs ( 4.1271 -0.00690752 4.47643e-05 -5.27069e-08 2.02134e-11 37256.6 4.24591 );
|
|
}
|
|
}
|
|
C5H4_1,4-DIYNE
|
|
{
|
|
specie
|
|
{
|
|
molWeight 64.0876;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 10.1601 0.0127916 -4.50071e-06 7.16461e-10 -4.24716e-14 50253.8 -26.0574 );
|
|
lowCpCoeffs ( 0.579689 0.0487732 -5.948e-05 4.04271e-08 -1.11749e-11 52468.7 21.1761 );
|
|
}
|
|
}
|
|
F2O___F-O-F
|
|
{
|
|
specie
|
|
{
|
|
molWeight 53.9962;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.06109 0.00115961 -3.7524e-07 6.51443e-11 -4.05768e-15 877.699 -5.59764 );
|
|
lowCpCoeffs ( 2.7003 0.0113302 -1.03151e-05 2.39433e-09 7.96759e-13 1723.99 11.4405 );
|
|
}
|
|
}
|
|
C30H10_Half-Buck
|
|
{
|
|
specie
|
|
{
|
|
molWeight 370.414;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 52.2725 0.0615938 -2.29022e-05 3.78466e-09 -2.30318e-13 112525 -270.375 );
|
|
lowCpCoeffs ( -10.1155 0.166903 4.81188e-05 -2.20387e-07 1.09999e-10 132582 66.9332 );
|
|
}
|
|
}
|
|
C3H3F3_CF3-CH=CH2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 96.0526;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.2166 0.0111177 -4.07567e-06 6.63455e-10 -3.9873e-14 -80878 -36.334 );
|
|
lowCpCoeffs ( 1.56835 0.0370716 -1.66535e-05 -1.1567e-08 9.46282e-12 -77857 19.2579 );
|
|
}
|
|
}
|
|
FCN+___ATcT_C
|
|
{
|
|
specie
|
|
{
|
|
molWeight 45.0157;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.21475 0.00218556 -8.21424e-07 1.3658e-10 -8.34321e-15 154633 -2.75044 );
|
|
lowCpCoeffs ( 3.34152 0.0082171 -9.29333e-06 6.34018e-09 -1.89835e-12 155142 6.79837 );
|
|
}
|
|
}
|
|
C5H4O_Cy_CPD-ONE
|
|
{
|
|
specie
|
|
{
|
|
molWeight 80.087;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 10.0807 0.0161143 -5.83314e-06 9.46759e-10 -5.68972e-14 1943.65 -29.4552 );
|
|
lowCpCoeffs ( 0.264576 0.0334874 1.67735e-06 -2.96207e-08 1.54431e-11 5111.59 23.5379 );
|
|
}
|
|
}
|
|
C10H7_C6H4*-CH=CCH
|
|
{
|
|
specie
|
|
{
|
|
molWeight 127.167;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 19.4397 0.0260076 -9.44468e-06 1.53367e-09 -9.21378e-14 67174 -73.8565 );
|
|
lowCpCoeffs ( 0.31761 0.0644699 -6.75478e-06 -4.74898e-08 2.69013e-11 73025.5 28.0198 );
|
|
}
|
|
}
|
|
BrO+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 95.8998;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.06755 0.000450279 -1.74231e-07 2.97676e-11 -1.85215e-15 135586 4.29504 );
|
|
lowCpCoeffs ( 2.79031 0.00433134 -4.39376e-06 1.8304e-09 -1.86782e-13 135916 10.7926 );
|
|
}
|
|
}
|
|
C4H4S_Thiophene
|
|
{
|
|
specie
|
|
{
|
|
molWeight 84.1405;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 10.3362 0.0131485 -4.75133e-06 7.70341e-10 -4.62622e-14 9274.99 -31.4803 );
|
|
lowCpCoeffs ( -0.533957 0.0304279 1.57129e-05 -5.21637e-08 2.60142e-11 12705.4 27.226 );
|
|
}
|
|
}
|
|
PbBr2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 366.992;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.94157 6.21326e-05 -2.48772e-08 4.30874e-12 -2.70637e-16 -14580.7 1.25545 );
|
|
lowCpCoeffs ( 5.86671 0.00650943 -1.45793e-05 1.43719e-08 -5.18587e-12 -14432.8 6.01742 );
|
|
}
|
|
}
|
|
H3+_TRIHYDROGEN
|
|
{
|
|
specie
|
|
{
|
|
molWeight 3.02337;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.01436 0.00415926 -1.42665e-06 2.22373e-10 -1.29347e-14 133231 5.46169 );
|
|
lowCpCoeffs ( 4.17957 -0.000868876 -1.09017e-07 4.1335e-09 -2.37877e-12 132636 -5.838 );
|
|
}
|
|
}
|
|
C10H20_2-decene-
|
|
{
|
|
specie
|
|
{
|
|
molWeight 140.271;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 23.8184 0.0539053 -2.01373e-05 3.52863e-09 -2.35147e-13 -28592.1 -92.2267 );
|
|
lowCpCoeffs ( 3.74608 0.0749426 2.93413e-05 -8.58775e-08 3.85492e-11 -20936.6 20.7576 );
|
|
}
|
|
}
|
|
s-1,2-C2H4(NO2)2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 120.065;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 14.353 0.0168115 -6.35596e-06 1.05307e-09 -6.40116e-14 -17997.9 -41.4649 );
|
|
lowCpCoeffs ( 4.16496 0.0205653 4.77904e-05 -8.16586e-08 3.49355e-11 -14057.5 16.9052 );
|
|
}
|
|
}
|
|
PT+_Platinum_cati
|
|
{
|
|
specie
|
|
{
|
|
molWeight 195.089;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 1.99304 0.000499044 1.45704e-07 -6.15798e-11 5.32272e-15 171696 11.5125 );
|
|
lowCpCoeffs ( 2.46549 0.000260015 -6.4412e-07 5.5213e-10 -5.1983e-14 171465 8.69265 );
|
|
}
|
|
}
|
|
H2S
|
|
{
|
|
specie
|
|
{
|
|
molWeight 34.0799;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.97879 0.0035976 -1.22803e-06 1.96833e-10 -1.16716e-14 -3516.08 6.77921 );
|
|
lowCpCoeffs ( 4.12024 -0.00187907 8.21427e-06 -7.06426e-09 2.14235e-12 -3682.15 1.53174 );
|
|
}
|
|
}
|
|
C3H5O__CH3CH2*CO
|
|
{
|
|
specie
|
|
{
|
|
molWeight 57.0727;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.52325 0.0154212 -5.50898e-06 8.8589e-10 -5.28846e-14 -7196.32 -5.19862 );
|
|
lowCpCoeffs ( 6.25722 -0.00917612 7.6119e-05 -9.05515e-08 3.46198e-11 -5916.16 2.23331 );
|
|
}
|
|
}
|
|
CH2OH_RADICAL
|
|
{
|
|
specie
|
|
{
|
|
molWeight 31.0345;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.09312 0.00594759 -2.06497e-06 3.23007e-10 -1.88125e-14 -4058.13 -1.84691 );
|
|
lowCpCoeffs ( 4.47832 -0.0013507 2.78484e-05 -3.64867e-08 1.47907e-11 -3524.77 3.30912 );
|
|
}
|
|
}
|
|
NiS2(L)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 122.838;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 1280;
|
|
Thigh 6000;
|
|
Tcommon 1280;
|
|
highCpCoeffs ( 10.945 0 0 0 0 -12344.8 -49.7195 );
|
|
lowCpCoeffs 7 { 0 };
|
|
}
|
|
}
|
|
Mg2SiO4(cr)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 140.708;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 2171;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 13.6769 0.0121638 -6.67891e-06 2.05258e-09 -2.36363e-13 -265102 -70.5597 );
|
|
lowCpCoeffs ( -7.40675 0.136074 -0.000291347 2.99676e-07 -1.18009e-10 -262061 23.608 );
|
|
}
|
|
}
|
|
N-C9H20_NONANE
|
|
{
|
|
specie
|
|
{
|
|
molWeight 128.26;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 25.5878 0.0460771 -1.60861e-05 2.58274e-09 -1.54735e-13 -40074.8 -104.722 );
|
|
lowCpCoeffs ( 13.984 -0.0117225 0.000252316 -3.2568e-07 1.29109e-10 -32825.8 -23.8634 );
|
|
}
|
|
}
|
|
C2H2Cl3_1,1,1-Tr
|
|
{
|
|
specie
|
|
{
|
|
molWeight 132.397;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.8814 0.00484113 -1.70532e-06 2.7189e-10 -1.61421e-14 4168.55 -35.9731 );
|
|
lowCpCoeffs ( 0.901668 0.057607 -9.43546e-05 7.56031e-08 -2.34842e-11 6509.27 21.0954 );
|
|
}
|
|
}
|
|
NiS(b)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 90.774;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 652;
|
|
Tcommon 652;
|
|
highCpCoeffs 7 { 0 };
|
|
lowCpCoeffs ( 0.0648317 0.0420532 -0.00011813 1.58075e-07 -7.91415e-11 -11687.4 -2.52383 );
|
|
}
|
|
}
|
|
HO2+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 33.0062;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.61928 0.00374495 -1.30617e-06 2.06343e-10 -1.2155e-14 133063 11.2351 );
|
|
lowCpCoeffs ( 4.32344 -0.00293184 8.03565e-06 -5.35863e-09 1.18363e-12 132736 3.02511 );
|
|
}
|
|
}
|
|
SO
|
|
{
|
|
specie
|
|
{
|
|
molWeight 48.0634;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.96894 0.000377297 7.67103e-09 -1.37544e-11 1.37139e-15 -728.572 3.73493 );
|
|
lowCpCoeffs ( 3.6186 -0.00232174 1.16463e-05 -1.42093e-08 5.60765e-12 -480.622 6.36504 );
|
|
}
|
|
}
|
|
CCl2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 82.9172;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.08367 -0.0011686 4.70293e-07 -8.16951e-11 5.14476e-15 25307.4 -14.2328 );
|
|
lowCpCoeffs ( 0.966452 0.026371 -3.46558e-05 1.46937e-08 -6.64895e-14 26684 20.0475 );
|
|
}
|
|
}
|
|
BrC2H4OH__ATcT_C
|
|
{
|
|
specie
|
|
{
|
|
molWeight 124.962;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 9.0981 0.0127482 -4.46427e-06 7.0849e-10 -4.19128e-14 -30461.2 -17.8057 );
|
|
lowCpCoeffs ( 3.3727 0.016857 2.26814e-05 -4.54484e-08 2.0586e-11 -28425.1 14.2911 );
|
|
}
|
|
}
|
|
C8H9_DiMethylPh_R
|
|
{
|
|
specie
|
|
{
|
|
molWeight 105.161;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 14.1703 0.030188 -1.087e-05 1.75781e-09 -1.05363e-13 24803.2 -50.0025 );
|
|
lowCpCoeffs ( 4.86785 0.0147314 0.000100528 -1.43462e-07 5.84751e-11 29290 7.77537 );
|
|
}
|
|
}
|
|
CH2O-__CH**-OH
|
|
{
|
|
specie
|
|
{
|
|
molWeight 30.027;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.93453 0.00424075 -1.46428e-06 2.30211e-10 -1.35306e-14 14914.8 -1.24308 );
|
|
lowCpCoeffs ( 2.27118 0.0130583 -1.29359e-05 7.14578e-09 -1.61169e-12 15584 12.1673 );
|
|
}
|
|
}
|
|
BiF
|
|
{
|
|
specie
|
|
{
|
|
molWeight 227.978;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.34749 0.000185734 -6.25665e-08 1.04966e-11 -6.18524e-16 -4877.99 5.26504 );
|
|
lowCpCoeffs ( 2.77994 0.00806626 -1.56766e-05 1.4055e-08 -4.74406e-12 -4608.45 12.5241 );
|
|
}
|
|
}
|
|
CrN(S)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 66.0027;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 400;
|
|
Thigh 2500;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.49357 0.00119267 -4.92615e-07 2.38521e-10 -3.94331e-14 -15795.4 -27.149 );
|
|
lowCpCoeffs ( 5.49357 0.00119267 -4.92615e-07 2.38521e-10 -3.94331e-14 -15795.4 -27.149 );
|
|
}
|
|
}
|
|
MgI2(L)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 278.121;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 906;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.0272 0 0 0 0 -46412.9 -51.7528 );
|
|
lowCpCoeffs ( 12.0272 0 0 0 0 -46412.9 -51.7528 );
|
|
}
|
|
}
|
|
s-1-C10H7-CH*-CH3
|
|
{
|
|
specie
|
|
{
|
|
molWeight 155.221;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 24.5873 0.037393 -1.36002e-05 2.21048e-09 -1.32884e-13 14985.1 -105.426 );
|
|
lowCpCoeffs ( -1.14974 0.0778725 2.87024e-05 -1.08719e-07 5.37519e-11 23337 34.2336 );
|
|
}
|
|
}
|
|
CuF2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 101.537;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.92243 -0.000373189 3.40408e-07 -6.14457e-11 3.34537e-15 -34359.5 -7.69702 );
|
|
lowCpCoeffs ( 3.23241 0.0133965 -2.03673e-05 1.46217e-08 -4.05175e-12 -33511.5 10.4963 );
|
|
}
|
|
}
|
|
CH3NO__O=CH-NH2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 45.0412;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.93695 0.00960834 -3.32935e-06 5.16598e-10 -2.99203e-14 -25091 -2.00078 );
|
|
lowCpCoeffs ( 3.17952 0.0019459 3.4333e-05 -4.64826e-08 1.87268e-11 -24058 9.94755 );
|
|
}
|
|
}
|
|
C4H5__1,3-Butadi
|
|
{
|
|
specie
|
|
{
|
|
molWeight 53.0845;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.58761 0.0142684 -5.04812e-06 8.06555e-10 -4.79336e-14 34083.7 -19.6197 );
|
|
lowCpCoeffs ( 2.00881 0.0250341 4.4793e-06 -2.6399e-08 1.34433e-11 36207 15.9914 );
|
|
}
|
|
}
|
|
MgCl2(L)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 95.218;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 987;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 30.1419 -0.0550709 3.14189e-05 -6.68579e-09 4.82766e-13 -83484.4 -112.069 );
|
|
lowCpCoeffs ( 15.0108 -0.0147239 0 0 0 -79628.7 -34.2927 );
|
|
}
|
|
}
|
|
C2H3-
|
|
{
|
|
specie
|
|
{
|
|
molWeight 27.0468;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.93262 0.00823095 -2.99361e-06 4.87109e-10 -2.93151e-14 25376.8 1.87863 );
|
|
lowCpCoeffs ( 2.67143 0.00409406 1.57748e-05 -2.04367e-08 7.52412e-12 26170.5 10.4295 );
|
|
}
|
|
}
|
|
CH3+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 15.0345;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.41724 0.00640288 -2.21302e-06 3.46739e-10 -2.02365e-14 131474 6.78764 );
|
|
lowCpCoeffs ( 4.73044 -0.0086626 3.12269e-05 -3.13569e-08 1.09957e-11 131270 -3.03198 );
|
|
}
|
|
}
|
|
AlBr3
|
|
{
|
|
specie
|
|
{
|
|
molWeight 266.684;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 9.62728 0.000393066 -1.56633e-07 2.70431e-11 -1.69492e-15 -52347.5 -13.3343 );
|
|
lowCpCoeffs ( 5.15802 0.0242629 -4.98302e-05 4.64069e-08 -1.61086e-11 -51628.8 7.07199 );
|
|
}
|
|
}
|
|
C3H6O__CyC3H5-OH
|
|
{
|
|
specie
|
|
{
|
|
molWeight 58.0807;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.9574 0.0160217 -5.65131e-06 9.01551e-10 -5.3537e-14 -16585.3 -24.5939 );
|
|
lowCpCoeffs ( 2.12818 0.00844261 6.99012e-05 -1.04542e-07 4.42461e-11 -13649.7 16.4565 );
|
|
}
|
|
}
|
|
C11H24O_1-undeca
|
|
{
|
|
specie
|
|
{
|
|
molWeight 172.313;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 28.3483 0.0649592 -2.40243e-05 4.18479e-09 -2.7808e-13 -64991.7 -110.733 );
|
|
lowCpCoeffs ( 2.32574 0.108966 -1.10004e-05 -5.95482e-08 3.21189e-11 -55859.9 31.6509 );
|
|
}
|
|
}
|
|
C16H31O2_palmita
|
|
{
|
|
specie
|
|
{
|
|
molWeight 255.424;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 36.5257 0.0965119 -3.52962e-05 5.75884e-09 -3.47087e-13 -77337.9 -161.211 );
|
|
lowCpCoeffs ( 20.6532 -0.0171726 0.000434604 -5.49705e-07 2.14773e-10 -65414.7 -41.459 );
|
|
}
|
|
}
|
|
C6F14__FC_51-14
|
|
{
|
|
specie
|
|
{
|
|
molWeight 338.044;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 44.0674 0.0127708 -5.33994e-06 9.57917e-10 -6.1924e-14 -370748 -184.738 );
|
|
lowCpCoeffs ( -14.2985 0.240551 -0.000343537 2.25534e-07 -5.58898e-11 -358518 98.856 );
|
|
}
|
|
}
|
|
C12_linear_Triplet
|
|
{
|
|
specie
|
|
{
|
|
molWeight 144.134;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 20.9468 0.0131411 -4.98097e-06 8.32785e-10 -5.10651e-14 228319 -74.2486 );
|
|
lowCpCoeffs ( 3.77676 0.078263 -0.000113362 9.10353e-08 -2.98249e-11 232459 10.8023 );
|
|
}
|
|
}
|
|
C22H46___docosane
|
|
{
|
|
specie
|
|
{
|
|
molWeight 310.612;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 58.764 0.116031 -4.2688e-05 7.41485e-09 -4.91274e-13 -89219.3 -261.464 );
|
|
lowCpCoeffs ( 1.48727 0.220851 -4.6469e-05 -8.98044e-08 5.29661e-11 -69478.7 50.3027 );
|
|
}
|
|
}
|
|
HPO
|
|
{
|
|
specie
|
|
{
|
|
molWeight 47.9812;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.37305 0.00264281 -1.05664e-06 1.87785e-10 -1.17888e-14 -12884 2.24317 );
|
|
lowCpCoeffs ( 4.13953 -0.00375644 2.10092e-05 -2.45888e-08 9.33164e-12 -12480.7 5.14556 );
|
|
}
|
|
}
|
|
FeOCl(cr)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 107.299;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 700;
|
|
Tcommon 700;
|
|
highCpCoeffs 7 { 0 };
|
|
lowCpCoeffs ( 0.603656 0.0564563 -0.000148055 1.83405e-07 -8.30961e-11 -51135.4 -5.21892 );
|
|
}
|
|
}
|
|
C5_singlet
|
|
{
|
|
specie
|
|
{
|
|
molWeight 60.0558;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 9.57458 0.00386015 -1.47557e-06 2.48047e-10 -1.52659e-14 125602 -23.7139 );
|
|
lowCpCoeffs ( 3.35873 0.0324351 -5.93059e-05 5.60115e-08 -2.03075e-11 126925 6.04912 );
|
|
}
|
|
}
|
|
Cl2C=C=CH(O*)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 123.947;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.2512 0.00638152 -2.38426e-06 3.95105e-10 -2.4086e-14 13731.6 -29.7221 );
|
|
lowCpCoeffs ( 4.09813 0.0331193 -3.81659e-05 2.38747e-08 -6.30671e-12 15829.6 11.4948 );
|
|
}
|
|
}
|
|
P2O3
|
|
{
|
|
specie
|
|
{
|
|
molWeight 109.946;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 10.1672 0.00286631 -1.11444e-06 1.8938e-10 -1.17411e-14 -85908.7 -22.0894 );
|
|
lowCpCoeffs ( 3.92738 0.0244403 -3.23257e-05 2.27759e-08 -6.72128e-12 -84356.9 9.19399 );
|
|
}
|
|
}
|
|
C10H7_Naphtyl_rad
|
|
{
|
|
specie
|
|
{
|
|
molWeight 127.167;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 18.3535 0.0277474 -1.00886e-05 1.6423e-09 -9.89002e-14 38926.1 -74.8978 );
|
|
lowCpCoeffs ( -1.8956 0.0583077 2.79389e-05 -9.14375e-08 4.46422e-11 45541 35.2453 );
|
|
}
|
|
}
|
|
CHF-
|
|
{
|
|
specie
|
|
{
|
|
molWeight 32.0181;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.38311 0.00246518 -9.17788e-07 1.51655e-10 -9.22431e-15 9297.8 1.951 );
|
|
lowCpCoeffs ( 3.27355 0.00409185 -8.2495e-08 -2.21232e-09 1.00235e-12 9704.27 8.10633 );
|
|
}
|
|
}
|
|
C10H21_2-decyl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 141.279;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 24.5312 0.055532 -2.07239e-05 3.63129e-09 -2.42046e-13 -19502.5 -93.6437 );
|
|
lowCpCoeffs ( 6.86952 0.0557426 8.72154e-05 -1.51903e-07 6.4618e-11 -12014.4 9.80864 );
|
|
}
|
|
}
|
|
O3
|
|
{
|
|
specie
|
|
{
|
|
molWeight 47.9982;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.3303 -0.0119325 7.98741e-06 -1.77195e-09 1.26076e-13 12675.6 -40.8823 );
|
|
lowCpCoeffs ( 3.40738 0.00205379 1.38486e-05 -2.23312e-08 9.76073e-12 15864.5 8.28248 );
|
|
}
|
|
}
|
|
NOO
|
|
{
|
|
specie
|
|
{
|
|
molWeight 46.0055;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.90098 0.00112552 -4.40699e-07 7.52199e-11 -4.67725e-15 47314.8 -4.06966 );
|
|
lowCpCoeffs ( 3.43784 0.00614563 1.80819e-07 -6.94877e-09 3.84083e-12 48047.6 8.99418 );
|
|
}
|
|
}
|
|
PO
|
|
{
|
|
specie
|
|
{
|
|
molWeight 46.9732;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.86758 0.000683996 -2.62476e-07 4.50526e-11 -2.52441e-15 -4603.29 4.4041 );
|
|
lowCpCoeffs ( 4.62538 -0.00703698 2.01581e-05 -2.11397e-08 7.72485e-12 -4556.74 1.8098 );
|
|
}
|
|
}
|
|
BF3
|
|
{
|
|
specie
|
|
{
|
|
molWeight 67.8062;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 7.24978 0.00277374 -1.07633e-06 1.82669e-10 -1.1315e-14 -139304 -12.4091 );
|
|
lowCpCoeffs ( 2.22088 0.0168901 -1.4807e-05 4.87832e-09 -6.36706e-14 -137920 13.5263 );
|
|
}
|
|
}
|
|
C3H8O3_Glycerol
|
|
{
|
|
specie
|
|
{
|
|
molWeight 92.0954;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 14.3044 0.0198821 -7.05142e-06 1.12196e-09 -6.6329e-14 -75341.7 -40.75 );
|
|
lowCpCoeffs ( 1.29037 0.0687296 -8.2416e-05 5.68197e-08 -1.62329e-11 -72321 23.4582 );
|
|
}
|
|
}
|
|
T2O__(3H2O)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 111.799;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.40439 0.00330833 -1.21268e-06 1.98272e-10 -1.19697e-14 30246.8 3.94903 );
|
|
lowCpCoeffs ( 4.06815 -0.00169878 9.00717e-06 -8.15792e-09 2.46772e-12 30273.1 1.42657 );
|
|
}
|
|
}
|
|
o-C6H3I_Cy
|
|
{
|
|
specie
|
|
{
|
|
molWeight 201.995;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 13.305 0.013413 -4.90407e-06 8.01427e-10 -4.83968e-14 58674.8 -41.226 );
|
|
lowCpCoeffs ( 1.77627 0.0357074 -1.00289e-06 -3.05265e-08 1.66128e-11 62255.8 20.4443 );
|
|
}
|
|
}
|
|
CH3NH2-_anion__H
|
|
{
|
|
specie
|
|
{
|
|
molWeight 31.0582;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.77865 0.0117678 -4.33295e-06 7.10913e-10 -4.30335e-14 2964.23 -7.65304 );
|
|
lowCpCoeffs ( 2.36081 0.00921154 2.16074e-05 -3.12175e-08 1.19191e-11 4603.08 13.1949 );
|
|
}
|
|
}
|
|
CHF2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 51.0159;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.52321 0.0042197 -1.58435e-06 2.63969e-10 -1.61338e-14 -30894.5 -2.40335 );
|
|
lowCpCoeffs ( 4.12221 -0.00233707 2.99283e-05 -3.88423e-08 1.55353e-11 -30053.1 7.22245 );
|
|
}
|
|
}
|
|
SbH3
|
|
{
|
|
specie
|
|
{
|
|
molWeight 124.774;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.1997 0.00467661 -1.77733e-06 2.9763e-10 -1.82688e-14 15289.9 -3.79348 );
|
|
lowCpCoeffs ( 3.19635 0.00349548 1.29555e-05 -1.84845e-08 7.21553e-12 16221.6 8.31216 );
|
|
}
|
|
}
|
|
C19H38O2_Stearate
|
|
{
|
|
specie
|
|
{
|
|
molWeight 298.514;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 44.0695 0.114915 -4.49445e-05 8.04303e-09 -5.40699e-13 -111836 -190.441 );
|
|
lowCpCoeffs ( 6.06686 0.162317 3.79674e-05 -1.59497e-07 7.45224e-11 -98299.1 20.2213 );
|
|
}
|
|
}
|
|
Fe(CO)5(L)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 195.9;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 253.1;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 28.1177 3.86349e-10 -1.88888e-13 3.67496e-17 -2.48987e-21 -100522 -119.662 );
|
|
lowCpCoeffs ( 28.1177 0 0 0 0 -100522 -119.662 );
|
|
}
|
|
}
|
|
C5H6O__4H-Pyran
|
|
{
|
|
specie
|
|
{
|
|
molWeight 82.103;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 10.6812 0.0208556 -7.52253e-06 1.21803e-09 -7.30776e-14 -6669.34 -34.4346 );
|
|
lowCpCoeffs ( 1.78621 0.015466 7.14572e-05 -1.09991e-07 4.64413e-11 -2906.6 18.351 );
|
|
}
|
|
}
|
|
CrO3
|
|
{
|
|
specie
|
|
{
|
|
molWeight 99.9942;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.44461 0.00162816 -6.48671e-07 1.10939e-10 -6.59269e-15 -41647.9 -16.9526 );
|
|
lowCpCoeffs ( 2.2336 0.0241281 -3.23842e-05 2.06088e-08 -5.05776e-12 -40222.5 13.7496 );
|
|
}
|
|
}
|
|
BOCl2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 97.7164;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.27629 0.00176578 -6.91683e-07 1.18107e-10 -7.34657e-15 -46340 -13.2336 );
|
|
lowCpCoeffs ( 2.39602 0.0242258 -3.58262e-05 2.65234e-08 -7.85785e-12 -45009.4 15.654 );
|
|
}
|
|
}
|
|
Fe2Cl4
|
|
{
|
|
specie
|
|
{
|
|
molWeight 253.506;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 15.1255 0.00105946 -2.38211e-07 1.35602e-11 3.96432e-16 -56411.5 -30.5943 );
|
|
lowCpCoeffs ( 10.3726 0.0308574 -6.72055e-05 6.50146e-08 -2.30783e-11 -55869.6 -9.97374 );
|
|
}
|
|
}
|
|
C3H7_n-propyl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 43.0892;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.49637 0.0177338 -6.24898e-06 9.95389e-10 -5.902e-14 8859.74 -8.5639 );
|
|
lowCpCoeffs ( 4.08211 0.0052324 5.13554e-05 -6.99344e-08 2.81819e-11 10407.5 8.39535 );
|
|
}
|
|
}
|
|
CH2D2_Methane-D2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 18.0553;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.16426 0.00887535 -3.21572e-06 5.21928e-10 -3.13556e-14 -11477.6 3.75556 );
|
|
lowCpCoeffs ( 4.79301 -0.0120475 5.23305e-05 -5.59332e-08 2.01717e-11 -11087.1 -0.578027 );
|
|
}
|
|
}
|
|
C7H12__Cy-heptene
|
|
{
|
|
specie
|
|
{
|
|
molWeight 96.1737;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 13.8899 0.0372244 -1.3525e-05 2.19989e-09 -1.32379e-13 -8853.38 -55.6568 );
|
|
lowCpCoeffs ( 2.57381 0.0143453 0.000136079 -1.91237e-07 7.78956e-11 -3212.14 15.5612 );
|
|
}
|
|
}
|
|
FeS(c)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 87.911;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 598;
|
|
Thigh 1465;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 10.3622 -0.00776172 4.75024e-06 -2.74498e-10 6.44426e-14 -14328.4 -48.8159 );
|
|
lowCpCoeffs ( 10.3772 -0.00792719 5.21202e-06 -7.65447e-10 2.44058e-13 -14327.8 -48.8664 );
|
|
}
|
|
}
|
|
CH_excited_B2Sig
|
|
{
|
|
specie
|
|
{
|
|
molWeight 13.0191;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.10123 0.0014867 -3.88549e-07 1.04668e-10 -4.71284e-15 108312 3.3036 );
|
|
lowCpCoeffs ( 3.69511 -0.00180505 5.03653e-06 -3.23609e-09 6.08849e-13 108268 0.740673 );
|
|
}
|
|
}
|
|
C3H7I_2-IodoProp
|
|
{
|
|
specie
|
|
{
|
|
molWeight 169.994;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.76103 0.0188585 -6.76192e-06 1.08989e-09 -6.51617e-14 -9041.63 -16.5829 );
|
|
lowCpCoeffs ( 6.11593 0.00830479 4.16117e-05 -5.57726e-08 2.16226e-11 -7366.12 1.58802 );
|
|
}
|
|
}
|
|
PD3_Phosphine-D3
|
|
{
|
|
specie
|
|
{
|
|
molWeight 37.0161;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.71379 0.00423629 -1.62408e-06 2.73499e-10 -1.6852e-14 -2901.19 -8.03672 );
|
|
lowCpCoeffs ( 3.13577 0.00398112 1.42563e-05 -2.13692e-08 8.57871e-12 -1797.47 7.15193 );
|
|
}
|
|
}
|
|
C14H9_2-Phenantr
|
|
{
|
|
specie
|
|
{
|
|
molWeight 177.228;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 26.9145 0.0375109 -1.44533e-05 2.56259e-09 -1.71565e-13 42168 -121.898 );
|
|
lowCpCoeffs ( -10.724 0.141103 -0.000113802 3.56322e-08 0 52825 73.0062 );
|
|
}
|
|
}
|
|
CH2-NH-CH3
|
|
{
|
|
specie
|
|
{
|
|
molWeight 44.0768;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.97607 0.0144633 -5.03599e-06 7.95671e-10 -4.69087e-14 15614.3 -11.43 );
|
|
lowCpCoeffs ( 3.14378 0.0140062 2.3506e-05 -4.17415e-08 1.82376e-11 17138.5 10.8365 );
|
|
}
|
|
}
|
|
C4F10
|
|
{
|
|
specie
|
|
{
|
|
molWeight 238.029;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 30.4425 0.0087223 -3.66259e-06 6.7841e-10 -4.62254e-14 -268306 -122.394 );
|
|
lowCpCoeffs ( -0.435109 0.110032 -0.000127121 6.67417e-08 -1.31069e-11 -260834 32.565 );
|
|
}
|
|
}
|
|
C2H4ClF_1,1-Chlo
|
|
{
|
|
specie
|
|
{
|
|
molWeight 82.5056;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.3872 0.0115429 -4.11896e-06 6.62023e-10 -3.95115e-14 -40998.9 -17.4887 );
|
|
lowCpCoeffs ( 2.77223 0.0180275 1.20988e-05 -3.0648e-08 1.41832e-11 -39049.2 13.5857 );
|
|
}
|
|
}
|
|
C18H29O2_Linolenat
|
|
{
|
|
specie
|
|
{
|
|
molWeight 277.431;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 40.7061 0.0945825 -3.44342e-05 5.60407e-09 -3.3725e-13 -37424.9 -180.057 );
|
|
lowCpCoeffs ( 17.2872 0.0185704 0.000363455 -4.87744e-07 1.94553e-10 -24270.6 -25.4901 );
|
|
}
|
|
}
|
|
N2+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 28.0129;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.58661 0.000253072 1.84778e-07 -4.55257e-11 3.26818e-15 180391 3.09584 );
|
|
lowCpCoeffs ( 3.77541 -0.00206459 4.75752e-06 -3.15664e-09 6.7051e-13 180481 2.69322 );
|
|
}
|
|
}
|
|
He+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 4.00206;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.5 0 0 0 0 285323 1.62167 );
|
|
lowCpCoeffs ( 2.5 0 0 0 0 285323 1.62167 );
|
|
}
|
|
}
|
|
C16H32O2_Palmitiac
|
|
{
|
|
specie
|
|
{
|
|
molWeight 256.432;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 36.3091 0.0985114 -3.55618e-05 5.75692e-09 -3.45223e-13 -105703 -161.811 );
|
|
lowCpCoeffs ( 18.6705 -0.00298831 0.000407494 -5.24731e-07 2.06225e-10 -93691.5 -34.81 );
|
|
}
|
|
}
|
|
SO2F2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 102.06;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 9.85674 0.00319908 -1.24824e-06 2.12604e-10 -1.32016e-14 -95014.5 -24.2146 );
|
|
lowCpCoeffs ( 0.699055 0.035965 -4.84265e-05 3.25745e-08 -8.80499e-12 -92845.8 21.2783 );
|
|
}
|
|
}
|
|
P4O10(cr)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 283.889;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 699;
|
|
Tcommon 699;
|
|
highCpCoeffs 7 { 0 };
|
|
lowCpCoeffs ( 5.4619 0.0807817 -4.0724e-05 0 0 -366889 -25.6119 );
|
|
}
|
|
}
|
|
C2Cl6
|
|
{
|
|
specie
|
|
{
|
|
molWeight 236.74;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 18.863 0.00324137 -1.36977e-06 2.36703e-10 -1.4649e-14 -25790.3 -60.6434 );
|
|
lowCpCoeffs ( 3.83017 0.0699619 -0.000119578 9.72584e-08 -3.05157e-11 -22870.1 10.8683 );
|
|
}
|
|
}
|
|
C4H6Cl2_3,4-DiCl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 124.998;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 14.0848 0.0162551 -5.81516e-06 9.32239e-10 -5.54702e-14 -12407.6 -41.735 );
|
|
lowCpCoeffs ( 4.0618 0.0262058 3.3151e-05 -7.07153e-08 3.26981e-11 -8987.56 13.7618 );
|
|
}
|
|
}
|
|
N2O+_NON+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 44.0123;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.33513 0.00165704 -6.38029e-07 1.07753e-10 -6.65252e-15 171850 -2.1225 );
|
|
lowCpCoeffs ( 2.74703 0.00965266 -1.04562e-05 5.92365e-09 -1.41191e-12 172540 11.0816 );
|
|
}
|
|
}
|
|
m-CHLOROPHENYL
|
|
{
|
|
specie
|
|
{
|
|
molWeight 111.552;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 14.5028 0.0151288 -5.5454e-06 9.07354e-10 -5.48076e-14 29448.6 -50.3742 );
|
|
lowCpCoeffs ( -0.0460582 0.0447704 -3.4336e-06 -3.76583e-08 2.13063e-11 33841.9 26.943 );
|
|
}
|
|
}
|
|
C2H5_ethyl_radic
|
|
{
|
|
specie
|
|
{
|
|
molWeight 29.0622;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.32196 0.0123931 -4.39681e-06 7.0352e-10 -4.18435e-14 12175.9 0.171104 );
|
|
lowCpCoeffs ( 4.24186 -0.00356905 4.82667e-05 -5.85401e-08 2.25805e-11 12969 4.44704 );
|
|
}
|
|
}
|
|
C4H8O__CyButanol
|
|
{
|
|
specie
|
|
{
|
|
molWeight 72.1078;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 11.067 0.0229962 -8.2465e-06 1.32989e-09 -7.95602e-14 -23103.6 -37.1471 );
|
|
lowCpCoeffs ( 2.51167 0.0125858 8.72467e-05 -1.29992e-07 5.47144e-11 -19302.6 14.6899 );
|
|
}
|
|
}
|
|
C8H2_linear
|
|
{
|
|
specie
|
|
{
|
|
molWeight 98.1051;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 16.3587 0.0108593 -3.91655e-06 6.34107e-10 -3.80413e-14 102367 -55.6747 );
|
|
lowCpCoeffs ( -0.326702 0.0943329 -0.000172876 1.56817e-07 -5.40488e-11 105392 22.0322 );
|
|
}
|
|
}
|
|
C2F4__FC-1114
|
|
{
|
|
specie
|
|
{
|
|
molWeight 100.016;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 11.4178 0.00459161 -1.77521e-06 3.00599e-10 -1.85921e-14 -85420.7 -31.6446 );
|
|
lowCpCoeffs ( 1.99309 0.0384734 -5.32323e-05 3.92123e-08 -1.19303e-11 -83130.1 15.3134 );
|
|
}
|
|
}
|
|
C2HClF2_cis
|
|
{
|
|
specie
|
|
{
|
|
molWeight 98.4801;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 10.7741 0.00488393 -1.8133e-06 2.99401e-10 -1.82109e-14 -42909.8 -27.4853 );
|
|
lowCpCoeffs ( 1.87671 0.0327524 -3.28485e-05 1.33543e-08 -1.00899e-12 -40667.2 17.5211 );
|
|
}
|
|
}
|
|
C18H36_1-Octadece
|
|
{
|
|
specie
|
|
{
|
|
molWeight 252.488;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 20.0541 0.144456 -6.55897e-05 1.24292e-08 -8.58324e-13 -48466.6 -56.3286 );
|
|
lowCpCoeffs ( 4.49699 0.155069 7.58516e-06 -1.0938e-07 5.27197e-11 -42871.1 31.1442 );
|
|
}
|
|
}
|
|
MnO2(S)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 86.9368;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 800;
|
|
Tcommon 800;
|
|
highCpCoeffs 7 { 0 };
|
|
lowCpCoeffs ( -4.79951 0.0720359 -0.000155128 1.55652e-07 -5.93342e-11 -63224.6 17.8855 );
|
|
}
|
|
}
|
|
C6H7__C5H5-1-CH2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 79.1227;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.7079 0.0213529 -7.71586e-06 1.25058e-09 -7.50744e-14 34113.7 -42.4118 );
|
|
lowCpCoeffs ( 1.6429 0.0265258 5.29483e-05 -9.65596e-08 4.29631e-11 38215.8 20.3616 );
|
|
}
|
|
}
|
|
Cr(L)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 51.996;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 2130;
|
|
Thigh 6000;
|
|
Tcommon 2130;
|
|
highCpCoeffs ( 4.73028 0 0 0 0 575.359 -24.5318 );
|
|
lowCpCoeffs 7 { 0 };
|
|
}
|
|
}
|
|
P4_tetrahedral
|
|
{
|
|
specie
|
|
{
|
|
molWeight 123.895;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 9.22671 0.000814519 -3.2435e-07 5.59738e-11 -3.50701e-15 6031.61 -19.6156 );
|
|
lowCpCoeffs ( 0.615302 0.0456183 -9.16576e-05 8.40354e-08 -2.8842e-11 7458.4 19.9492 );
|
|
}
|
|
}
|
|
ZrF4
|
|
{
|
|
specie
|
|
{
|
|
molWeight 167.214;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 11.8752 0.0011448 -4.22965e-07 6.61789e-11 -3.71161e-15 -205122 -30.1915 );
|
|
lowCpCoeffs ( 4.58054 0.0297513 -3.99642e-05 2.13915e-08 -3.09968e-12 -203662 5.02777 );
|
|
}
|
|
}
|
|
CD2_Deutherometh
|
|
{
|
|
specie
|
|
{
|
|
molWeight 16.0393;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.55917 0.00353718 -1.33967e-06 2.24531e-10 -1.38201e-14 44723.8 3.13098 );
|
|
lowCpCoeffs ( 3.55503 0.00336947 -3.5028e-06 4.99693e-09 -2.45123e-12 44827.3 3.42741 );
|
|
}
|
|
}
|
|
C2H2Cl2_1,1-
|
|
{
|
|
specie
|
|
{
|
|
molWeight 96.9442;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.72533 0.00652036 -2.35515e-06 3.81703e-10 -2.2916e-14 -3059.39 -17.9282 );
|
|
lowCpCoeffs ( 1.09096 0.0338226 -4.14124e-05 2.66328e-08 -6.88458e-12 -1247.49 19.9996 );
|
|
}
|
|
}
|
|
BFCl2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 100.715;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.26039 0.00178023 -6.96912e-07 1.18953e-10 -7.39721e-15 -80182.2 -13.708 );
|
|
lowCpCoeffs ( 2.52953 0.023473 -3.43412e-05 2.52332e-08 -7.43936e-12 -78875.1 14.4952 );
|
|
}
|
|
}
|
|
C6H9_a
|
|
{
|
|
specie
|
|
{
|
|
molWeight 81.1386;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.8337 0.0250402 -8.89067e-06 1.41988e-09 -8.43185e-14 14849.8 -38.2494 );
|
|
lowCpCoeffs ( 3.73082 0.0316119 3.09372e-05 -6.53851e-08 2.94241e-11 18190.5 13.037 );
|
|
}
|
|
}
|
|
CH2N2_Carbodiimi
|
|
{
|
|
specie
|
|
{
|
|
molWeight 42.0405;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.94596 0.0058076 -1.98052e-06 3.0856e-10 -1.80146e-14 15345.5 -7.36413 );
|
|
lowCpCoeffs ( 1.7513 0.0185799 -1.40651e-05 2.15779e-09 1.63974e-12 16388.4 13.8507 );
|
|
}
|
|
}
|
|
CH3CHO_Acetaldehy
|
|
{
|
|
specie
|
|
{
|
|
molWeight 44.0536;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.40411 0.0117231 -4.22631e-06 6.83725e-10 -4.09849e-14 -22593.1 -3.48079 );
|
|
lowCpCoeffs ( 4.72946 -0.00319329 4.75349e-05 -5.74586e-08 2.19311e-11 -21572.9 4.10302 );
|
|
}
|
|
}
|
|
s-2,4-C6H4Cl2O_cis
|
|
{
|
|
specie
|
|
{
|
|
molWeight 163.004;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 18.6655 0.0161135 -5.85997e-06 9.54793e-10 -5.75568e-14 -26763 -70.6574 );
|
|
lowCpCoeffs ( -0.626809 0.0669309 -4.37358e-05 -1.39141e-09 8.63942e-12 -21406.9 29.3376 );
|
|
}
|
|
}
|
|
C7H14O2_Enanthic
|
|
{
|
|
specie
|
|
{
|
|
molWeight 130.188;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 16.7241 0.0431081 -1.55092e-05 2.50535e-09 -1.50023e-13 -73210.3 -58.4003 );
|
|
lowCpCoeffs ( 9.72266 -0.00109814 0.000172531 -2.21101e-07 8.66238e-11 -68239 -7.00811 );
|
|
}
|
|
}
|
|
C6H13__2-Hexyl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 85.1705;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 14.1986 0.0346787 -1.25516e-05 2.02768e-09 -1.21224e-13 -3681.02 -42.3012 );
|
|
lowCpCoeffs ( 7.58146 0.0189616 8.16572e-05 -1.18092e-07 4.81236e-11 -227.328 5.28216e-05 );
|
|
}
|
|
}
|
|
s-1,3,5-C6H3Cl3
|
|
{
|
|
specie
|
|
{
|
|
molWeight 181.45;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 18.0693 0.0146522 -5.38533e-06 8.83291e-10 -5.34798e-14 -7882.62 -66.4549 );
|
|
lowCpCoeffs ( 2.11211 0.05317 -2.59994e-05 -1.23291e-08 1.12125e-11 -3263 17.1506 );
|
|
}
|
|
}
|
|
C3H2(1)_HCC-CH**
|
|
{
|
|
specie
|
|
{
|
|
molWeight 38.0494;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.74648 0.00543301 -1.92072e-06 3.06676e-10 -1.82157e-14 95915.7 -10.2271 );
|
|
lowCpCoeffs ( 2.87527 0.0199236 -2.41971e-05 1.66378e-08 -4.69231e-12 96819.2 8.88674 );
|
|
}
|
|
}
|
|
HAlO
|
|
{
|
|
specie
|
|
{
|
|
molWeight 43.9889;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.39297 0.00207444 -7.93599e-07 1.33476e-10 -8.21777e-15 -1688.81 -5.37968 );
|
|
lowCpCoeffs ( 2.23704 0.0133495 -1.81531e-05 1.36094e-08 -4.24382e-12 -905.8 10.3923 );
|
|
}
|
|
}
|
|
C6H11_1ene2M-yl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 83.1546;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 13.5236 0.0293884 -1.05717e-05 1.7024e-09 -1.01591e-13 4808.23 -41.4343 );
|
|
lowCpCoeffs ( 3.00563 0.032639 5.08487e-05 -9.38815e-08 4.13293e-11 8837.24 18.7641 );
|
|
}
|
|
}
|
|
H2N2O__H2NN=O
|
|
{
|
|
specie
|
|
{
|
|
molWeight 46.0287;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.78593 0.00603964 -2.08624e-06 3.28153e-10 -1.92961e-14 7613.83 -5.32128 );
|
|
lowCpCoeffs ( 3.68836 0.00597978 1.22602e-05 -2.07157e-08 8.83558e-12 8449.18 6.85577 );
|
|
}
|
|
}
|
|
S5
|
|
{
|
|
specie
|
|
{
|
|
molWeight 160.32;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 13.3326 0.000209783 -3.36432e-07 8.53312e-11 -6.48295e-15 11378.8 -34.8612 );
|
|
lowCpCoeffs ( 3.27621 0.0432968 -8.47663e-05 8.12574e-08 -2.97794e-11 13696.5 14.1197 );
|
|
}
|
|
}
|
|
CH6N+__CH3NH3+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 32.0651;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.26633 0.015271 -5.26432e-06 8.25919e-10 -4.84459e-14 72105.2 5.80724 );
|
|
lowCpCoeffs ( 3.18517 0.00338932 3.16113e-05 -3.81049e-08 1.39696e-11 72764.4 9.28418 );
|
|
}
|
|
}
|
|
C7H4__CH(CCH)3
|
|
{
|
|
specie
|
|
{
|
|
molWeight 88.1099;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.9423 0.0162481 -5.88121e-06 9.54331e-10 -5.73367e-14 75732.1 -43.2326 );
|
|
lowCpCoeffs ( -0.58408 0.052253 -3.19359e-05 -3.67937e-09 8.15253e-12 79457.4 26.7189 );
|
|
}
|
|
}
|
|
CrCl6
|
|
{
|
|
specie
|
|
{
|
|
molWeight 264.714;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 18.329 0.000777467 -3.48059e-07 6.85592e-11 -4.95623e-15 -47200.3 -55.175 );
|
|
lowCpCoeffs ( 11.1744 0.0357825 -6.69031e-05 5.72908e-08 -1.85226e-11 -45965.3 -21.9248 );
|
|
}
|
|
}
|
|
PH2+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 32.9897;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 300;
|
|
Thigh 4000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.65238 0.00458925 -2.0501e-06 4.28048e-10 -3.41648e-14 129773 8.54467 );
|
|
lowCpCoeffs ( 3.9373 -0.000663768 5.24256e-06 -3.53787e-09 6.072e-13 129546 2.43713 );
|
|
}
|
|
}
|
|
C5H6O_2-Me_Furan
|
|
{
|
|
specie
|
|
{
|
|
molWeight 82.103;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 11.4238 0.0195554 -7.01017e-06 1.13045e-09 -6.76323e-14 -14921 -37.036 );
|
|
lowCpCoeffs ( 1.74117 0.0211854 5.53311e-05 -9.43548e-08 4.1129e-11 -11201.8 18.5781 );
|
|
}
|
|
}
|
|
CH2ClBr
|
|
{
|
|
specie
|
|
{
|
|
molWeight 129.381;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.45767 0.00581974 -2.09077e-06 3.37549e-10 -2.02083e-14 -7753.36 -4.65061 );
|
|
lowCpCoeffs ( 3.06179 0.0104876 6.1981e-06 -1.78895e-08 8.64601e-12 -6630.83 13.9041 );
|
|
}
|
|
}
|
|
CT4__methane_T-4
|
|
{
|
|
specie
|
|
{
|
|
molWeight 203.611;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.73665 0.00705179 -2.67448e-06 4.47273e-10 -2.74295e-14 -16732.9 -11.2911 );
|
|
lowCpCoeffs ( 3.18129 0.000527125 3.34165e-05 -4.37337e-08 1.71426e-11 -15334.2 5.27442 );
|
|
}
|
|
}
|
|
C3H8O2_C3H7O-OH
|
|
{
|
|
specie
|
|
{
|
|
molWeight 76.096;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 10.4116 0.0213764 -7.5582e-06 1.20207e-09 -7.11798e-14 -26893.5 -23.5429 );
|
|
lowCpCoeffs ( 7.08978 -0.00486163 0.000103254 -1.33201e-07 5.30799e-11 -24419.5 1.74859 );
|
|
}
|
|
}
|
|
SB(CH3)3
|
|
{
|
|
specie
|
|
{
|
|
molWeight 166.855;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 10.6182 0.0218958 -7.80205e-06 1.25202e-09 -7.46171e-14 -174.687 -24.8861 );
|
|
lowCpCoeffs ( 6.79005 0.0180286 2.81661e-05 -4.64557e-08 1.93603e-11 1637.64 -1.51504 );
|
|
}
|
|
}
|
|
FeS2(S)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 119.975;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 1400;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 7.06031 0.00186238 2.91044e-06 -2.69341e-09 7.60145e-13 -22763.1 -34.3968 );
|
|
lowCpCoeffs ( -1.35611 0.0558146 -0.000118088 1.13053e-07 -3.95233e-11 -21869.8 1.77755 );
|
|
}
|
|
}
|
|
C2O_(CCO)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 40.0217;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.42468 0.00185394 -5.17933e-07 6.77646e-11 -3.53315e-15 43716.1 -3.69608 );
|
|
lowCpCoeffs ( 2.86278 0.0119701 -1.80851e-05 1.52778e-08 -5.20063e-12 44312.6 8.89759 );
|
|
}
|
|
}
|
|
C2H6N2_Azomethan
|
|
{
|
|
specie
|
|
{
|
|
molWeight 58.0835;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 7.44029 0.0174496 -6.27722e-06 1.01408e-09 -6.07285e-14 14200.5 -10.653 );
|
|
lowCpCoeffs ( 6.3058 -0.0023274 6.22189e-05 -7.46639e-08 2.80325e-11 15692.3 0.915375 );
|
|
}
|
|
}
|
|
C6H7_1,3,5_Linear
|
|
{
|
|
specie
|
|
{
|
|
molWeight 79.1227;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.6756 0.0204172 -7.25925e-06 1.15611e-09 -6.84357e-14 46223.6 -36.6322 );
|
|
lowCpCoeffs ( 2.82605 0.0348405 1.31407e-05 -4.6882e-08 2.29961e-11 49458.2 17.0295 );
|
|
}
|
|
}
|
|
HClO4
|
|
{
|
|
specie
|
|
{
|
|
molWeight 100.459;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 10.0861 0.00483874 -1.75133e-06 2.84752e-10 -1.71497e-14 -3830.38 -24.0714 );
|
|
lowCpCoeffs ( 1.19174 0.0330078 -3.40699e-05 1.51713e-08 -1.8598e-12 -1600.83 20.8571 );
|
|
}
|
|
}
|
|
C2N+___C-CN
|
|
{
|
|
specie
|
|
{
|
|
molWeight 38.0285;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.34016 0.00203394 -7.56937e-07 1.25033e-10 -7.60287e-15 205305 -3.04025 );
|
|
lowCpCoeffs ( 4.81706 0.0021364 1.20197e-06 -2.18393e-09 7.63092e-13 205547 0.0682565 );
|
|
}
|
|
}
|
|
C6_linear_triplet
|
|
{
|
|
specie
|
|
{
|
|
molWeight 72.0669;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 10.9691 0.0054008 -2.05587e-06 3.44673e-10 -2.11744e-14 150457 -28.9518 );
|
|
lowCpCoeffs ( 3.01755 0.0379182 -6.06834e-05 5.23078e-08 -1.79227e-11 152282 9.92611 );
|
|
}
|
|
}
|
|
CH2DNO2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 62.0467;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 7.42984 0.0102242 -3.7634e-06 6.17531e-10 -3.73903e-14 -9685.57 -12.353 );
|
|
lowCpCoeffs ( 3.23582 0.00654117 3.47849e-05 -5.08833e-08 2.07922e-11 -7790.17 12.9867 );
|
|
}
|
|
}
|
|
Pb+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 207.189;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.54082 -3.28628e-05 -2.85603e-08 2.30014e-11 -2.40184e-15 109523 7.30005 );
|
|
lowCpCoeffs ( 2.5 -4.06556e-08 1.18115e-10 -1.45005e-13 6.38708e-17 109543 7.54196 );
|
|
}
|
|
}
|
|
N2-
|
|
{
|
|
specie
|
|
{
|
|
molWeight 28.0139;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.22742 0.00123537 -4.55436e-07 7.56109e-11 -4.61337e-15 21777 5.78002 );
|
|
lowCpCoeffs ( 3.87906 -0.00316855 8.46825e-06 -7.28826e-09 2.18785e-12 21755.2 3.12725 );
|
|
}
|
|
}
|
|
BCl2+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 81.7165;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.97132 0.000584599 -2.57828e-07 5.15593e-11 -3.49493e-15 78632.9 -9.17657 );
|
|
lowCpCoeffs ( 3.78496 0.0141162 -2.31272e-05 1.7968e-08 -5.39579e-12 79276 6.11303 );
|
|
}
|
|
}
|
|
BHF2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 49.8158;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 300;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.31845 0.00474445 -1.93379e-06 3.55084e-10 -2.42937e-14 -90375 -3.04314 );
|
|
lowCpCoeffs ( 2.40536 0.00927558 1.33865e-06 -8.68079e-09 4.1211e-12 -89388.4 12.888 );
|
|
}
|
|
}
|
|
C6H7O5(NO2)3__NC
|
|
{
|
|
specie
|
|
{
|
|
molWeight 297.136;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 483.472 -0.712817 0.000361867 -7.27361e-08 5.0644e-12 -272291 -2671.25 );
|
|
lowCpCoeffs ( 4.69534 0.092549 2.89558e-05 -1.19306e-07 5.79556e-11 -84163.3 -0.591312 );
|
|
}
|
|
}
|
|
HC(OO)_cyclo_rad
|
|
{
|
|
specie
|
|
{
|
|
molWeight 45.0179;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.25883 0.00436477 -1.60399e-06 2.62961e-10 -1.59132e-14 23479.4 -2.49086 );
|
|
lowCpCoeffs ( 3.7783 -0.00221086 3.02756e-05 -3.9265e-08 1.56887e-11 24362.3 7.62193 );
|
|
}
|
|
}
|
|
CH4N2_cyc(-CH2-N
|
|
{
|
|
specie
|
|
{
|
|
molWeight 44.0564;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.16688 0.011966 -4.22259e-06 6.73715e-10 -4.00072e-14 26091.1 -5.20599 );
|
|
lowCpCoeffs ( 4.31065 -0.0141446 9.03614e-05 -1.10333e-07 4.33491e-11 27548.3 5.682 );
|
|
}
|
|
}
|
|
K20(g)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 94.2034;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.85373 0.000120611 -3.58446e-08 4.41812e-12 -1.85943e-16 -11013.9 -4.75446 );
|
|
lowCpCoeffs ( 4.46819 0.0127466 -2.62629e-05 2.45127e-08 -8.52179e-12 -10621.7 6.17284 );
|
|
}
|
|
}
|
|
CH2Br2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 173.829;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.73008 0.00554768 -1.986e-06 3.1987e-10 -1.91179e-14 -2205.51 -5.41566 );
|
|
lowCpCoeffs ( 3.02311 0.012512 1.10912e-06 -1.3081e-08 7.02926e-12 -1071.89 14.3841 );
|
|
}
|
|
}
|
|
ClONO2_Clnitrat
|
|
{
|
|
specie
|
|
{
|
|
molWeight 97.4579;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 9.81726 0.00320559 -1.24315e-06 2.10918e-10 -1.30628e-14 -841.269 -21.5518 );
|
|
lowCpCoeffs ( 2.31854 0.0288933 -3.63668e-05 2.29847e-08 -5.85211e-12 995.861 15.9902 );
|
|
}
|
|
}
|
|
NH4NO3_gas
|
|
{
|
|
specie
|
|
{
|
|
molWeight 80.0435;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 11.2739 0.0120722 -4.41054e-06 7.20176e-10 -4.3458e-14 -32355.9 -29.6634 );
|
|
lowCpCoeffs ( 4.14853 0.0269825 -9.75933e-06 -6.09907e-09 4.33965e-12 -30074.6 8.49838 );
|
|
}
|
|
}
|
|
Cl+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 35.4525;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.12034 -0.000632312 2.46165e-07 -3.68196e-11 1.9547e-15 164913 2.51129 );
|
|
lowCpCoeffs ( 1.71852 0.00659508 -1.34793e-05 1.14252e-08 -3.56017e-12 165123 8.89991 );
|
|
}
|
|
}
|
|
CF2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 50.008;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.35788 0.00180622 -7.80465e-07 1.47643e-10 -9.44754e-15 -24920.2 -2.63411 );
|
|
lowCpCoeffs ( 3.56435 0.00123021 1.3991e-05 -2.13708e-08 9.10711e-12 -24206.2 7.83908 );
|
|
}
|
|
}
|
|
CH2N-_H*C=NH_trans
|
|
{
|
|
specie
|
|
{
|
|
molWeight 28.0343;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.60643 0.00590279 -2.17071e-06 3.5585e-10 -2.15278e-14 25941.3 4.15033 );
|
|
lowCpCoeffs ( 4.27444 -0.00674635 3.15082e-05 -3.25062e-08 1.11428e-11 26354.3 3.50846 );
|
|
}
|
|
}
|
|
C4H9O_N-Butoxy_R
|
|
{
|
|
specie
|
|
{
|
|
molWeight 73.1157;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.1282 0.0243645 -9.02472e-06 1.4795e-09 -8.93697e-14 -12979.6 -37.5313 );
|
|
lowCpCoeffs ( 5.61811 0.00213096 0.000102736 -1.34294e-07 5.2667e-11 -9214.2 5.86105 );
|
|
}
|
|
}
|
|
s-*CH2ONO2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 76.032;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 10.3914 0.00766104 -3.02728e-06 5.16125e-10 -3.19767e-14 7784.86 -25.4152 );
|
|
lowCpCoeffs ( 2.98654 0.0247991 -1.17176e-05 -5.3682e-09 4.80947e-12 10020.3 13.6939 );
|
|
}
|
|
}
|
|
NH2O__RADICAL
|
|
{
|
|
specie
|
|
{
|
|
molWeight 32.022;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.75556 0.00516219 -1.76387e-06 2.75053e-10 -1.60643e-14 6518.26 4.30933 );
|
|
lowCpCoeffs ( 3.93201 -0.000164028 1.39161e-05 -1.62748e-08 6.00353e-12 6711.79 4.58837 );
|
|
}
|
|
}
|
|
F2O+__FOF+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 53.9957;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.72649 0.00130309 -5.09918e-07 8.69992e-11 -5.40811e-15 153932 -3.46948 );
|
|
lowCpCoeffs ( 2.46499 0.0109177 -1.05316e-05 4.05496e-09 -3.04762e-13 154795 13.2086 );
|
|
}
|
|
}
|
|
AlF2-
|
|
{
|
|
specie
|
|
{
|
|
molWeight 64.9788;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.15769 0.000869537 -3.42067e-07 5.85604e-11 -3.64876e-15 -104676 -4.82335 );
|
|
lowCpCoeffs ( 2.73622 0.0133202 -1.82283e-05 1.20393e-08 -3.12744e-12 -103889 12.0911 );
|
|
}
|
|
}
|
|
O4+_cation
|
|
{
|
|
specie
|
|
{
|
|
molWeight 63.9971;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 7.57784 0.00248052 -9.71133e-07 1.65738e-10 -1.03048e-14 170840 -14.6809 );
|
|
lowCpCoeffs ( 1.15108 0.021557 -2.10271e-05 8.21141e-09 -6.49761e-13 172530 18.1431 );
|
|
}
|
|
}
|
|
Na2O2(b)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 77.9784;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 785;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 13.6627 0 0 0 0 -65632.6 -66.8416 );
|
|
lowCpCoeffs ( 13.6627 0 0 0 0 -65632.6 -66.8416 );
|
|
}
|
|
}
|
|
Ag+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 107.869;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 9.72687 -0.00401472 7.47796e-07 -1.76596e-11 -4.1428e-15 117715 -39.1848 );
|
|
lowCpCoeffs ( 0.167073 0.0230035 -8.05675e-05 1.14647e-07 -5.08119e-11 122366 14.9718 );
|
|
}
|
|
}
|
|
C6H14(L)_n-hexa
|
|
{
|
|
specie
|
|
{
|
|
molWeight 86.1785;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 177.86;
|
|
Thigh 300;
|
|
Tcommon 300;
|
|
highCpCoeffs 7 { 0 };
|
|
lowCpCoeffs ( 32.3581 -0.15592 0.000605367 -5.71237e-07 -1.3076e-10 -30768.7 -123.866 );
|
|
}
|
|
}
|
|
C18H38_n-Octadeca
|
|
{
|
|
specie
|
|
{
|
|
molWeight 254.504;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 53.3794 0.0873248 -3.41008e-05 6.29918e-09 -4.39261e-13 -75543.6 -239.367 );
|
|
lowCpCoeffs ( 26.7547 -0.0228051 0.000512379 -6.72133e-07 2.68268e-10 -60147.2 -59.5926 );
|
|
}
|
|
}
|
|
C10H4Cl4_2,3,6,7
|
|
{
|
|
specie
|
|
{
|
|
molWeight 265.955;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 27.827 0.0225286 -8.34817e-06 1.37651e-09 -8.36423e-14 -5413.95 -116.004 );
|
|
lowCpCoeffs ( 1.50485 0.0889282 -5.32063e-05 -6.8203e-09 1.28938e-11 2114.81 21.3405 );
|
|
}
|
|
}
|
|
C2H3O2_COOCH3
|
|
{
|
|
specie
|
|
{
|
|
molWeight 59.045;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 7.00172 0.0101977 -3.65622e-06 5.89475e-10 -3.52561e-14 -22613.6 -9.05268 );
|
|
lowCpCoeffs ( 4.75564 0.00780915 1.62273e-05 -2.41211e-08 9.42645e-12 -21515.7 4.78096 );
|
|
}
|
|
}
|
|
C2H5NH2__Et-amin
|
|
{
|
|
specie
|
|
{
|
|
molWeight 45.0848;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.32494 0.0176576 -6.1709e-06 9.77517e-10 -5.77373e-14 -9008.03 -9.89968 );
|
|
lowCpCoeffs ( 3.89535 0.00525551 5.18068e-05 -7.09274e-08 2.87012e-11 -7478.86 7.07512 );
|
|
}
|
|
}
|
|
C6H5Br+__Cation
|
|
{
|
|
specie
|
|
{
|
|
molWeight 157.007;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 13.3846 0.0184441 -6.6575e-06 1.07876e-09 -6.47626e-14 111761 -44.3642 );
|
|
lowCpCoeffs ( -1.75455 0.0554592 -3.05736e-05 -3.64812e-09 6.70231e-12 116193 35.0402 );
|
|
}
|
|
}
|
|
C6H4__Pentaene
|
|
{
|
|
specie
|
|
{
|
|
molWeight 76.0988;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 11.5161 0.0145817 -5.21945e-06 8.40605e-10 -5.02392e-14 63589.8 -34.1129 );
|
|
lowCpCoeffs ( 1.72576 0.0458664 -4.46314e-05 2.38248e-08 -5.11679e-12 66142.4 15.5429 );
|
|
}
|
|
}
|
|
C10H8O__Naphtol
|
|
{
|
|
specie
|
|
{
|
|
molWeight 144.175;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 20.893 0.031056 -1.14408e-05 1.87873e-09 -1.13824e-13 -13588.6 -88.8597 );
|
|
lowCpCoeffs ( -2.08768 0.07681 -1.53593e-05 -4.04658e-08 2.3376e-11 -6290.56 34.3331 );
|
|
}
|
|
}
|
|
AlH3
|
|
{
|
|
specie
|
|
{
|
|
molWeight 30.0054;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.77953 0.00504054 -1.9051e-06 3.17882e-10 -1.94638e-14 13516.9 -4.5849 );
|
|
lowCpCoeffs ( 3.56062 0.000620469 1.79094e-05 -2.20571e-08 8.17998e-12 14294.9 3.7563 );
|
|
}
|
|
}
|
|
ZrN
|
|
{
|
|
specie
|
|
{
|
|
molWeight 105.227;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.14379 0.000404306 -1.44632e-07 2.47605e-11 -1.54279e-15 84461.4 4.15937 );
|
|
lowCpCoeffs ( 3.07189 0.002643 3.18503e-07 -3.63351e-09 2.0268e-12 84768.5 9.80589 );
|
|
}
|
|
}
|
|
C3HBr3_BromoAllene
|
|
{
|
|
specie
|
|
{
|
|
molWeight 276.744;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 13.1407 0.00538801 -1.9795e-06 3.24545e-10 -1.96434e-14 29567.5 -30.6291 );
|
|
lowCpCoeffs ( 3.83137 0.0432358 -6.57287e-05 5.1621e-08 -1.61054e-11 31595.7 14.6272 );
|
|
}
|
|
}
|
|
s-1,2,3,5-C6H2Cl4
|
|
{
|
|
specie
|
|
{
|
|
molWeight 215.895;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 20.5886 0.0126008 -4.6936e-06 7.76583e-10 -4.73009e-14 -10236.2 -75.8387 );
|
|
lowCpCoeffs ( 2.48196 0.0655633 -5.95894e-05 2.22036e-08 -1.43435e-12 -5391.51 16.9276 );
|
|
}
|
|
}
|
|
CCl2F2_FREON-12
|
|
{
|
|
specie
|
|
{
|
|
molWeight 120.914;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 10.6592 0.0024083 -9.45665e-07 1.61716e-10 -1.0069e-14 -63382.9 -26.3365 );
|
|
lowCpCoeffs ( 1.43594 0.0376738 -5.53363e-05 3.99081e-08 -1.1408e-11 -61319.1 18.9064 );
|
|
}
|
|
}
|
|
CH2=S
|
|
{
|
|
specie
|
|
{
|
|
molWeight 46.0911;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.19802 0.00514114 -1.904e-06 3.33562e-10 -2.14381e-14 12120.2 1.89539 );
|
|
lowCpCoeffs ( 3.98891 -0.00448093 3.23153e-05 -3.98564e-08 1.57805e-11 12621.1 5.29852 );
|
|
}
|
|
}
|
|
C5H12,i-pentane
|
|
{
|
|
specie
|
|
{
|
|
molWeight 72.1514;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 10.4816 0.0342019 -1.20571e-05 1.91952e-09 -1.13804e-13 -24355.7 -31.0177 );
|
|
lowCpCoeffs ( 2.1944 0.0361717 3.01587e-05 -5.87986e-08 2.4706e-11 -20909.7 17.1852 );
|
|
}
|
|
}
|
|
C2H3O2_HOCH2C=O
|
|
{
|
|
specie
|
|
{
|
|
molWeight 59.045;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 7.40928 0.00967445 -3.43429e-06 5.50254e-10 -3.27756e-14 -20591.2 -9.38926 );
|
|
lowCpCoeffs ( 4.96762 0.00463781 2.87003e-05 -4.05036e-08 1.63647e-11 -19358.8 6.03171 );
|
|
}
|
|
}
|
|
C5H6N2_Cyclo_2-A
|
|
{
|
|
specie
|
|
{
|
|
molWeight 94.117;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 13.688 0.0200945 -7.18468e-06 1.15716e-09 -6.919e-14 7779.85 -49.5981 );
|
|
lowCpCoeffs ( -0.717358 0.0408494 2.30347e-05 -6.82013e-08 3.27204e-11 12516.4 28.9682 );
|
|
}
|
|
}
|
|
MgH
|
|
{
|
|
specie
|
|
{
|
|
molWeight 25.32;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.77689 0.00240031 -1.001e-06 1.47762e-10 -7.07914e-15 26749 6.82236 );
|
|
lowCpCoeffs ( 3.78823 -0.00327258 1.16244e-05 -1.2123e-08 4.29987e-12 26572 2.20999 );
|
|
}
|
|
}
|
|
C4H7O_CH3CH2CH2CO
|
|
{
|
|
specie
|
|
{
|
|
molWeight 71.0998;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 10.0105 0.0198395 -7.11455e-06 1.1418e-09 -6.80013e-14 -10814.3 -22.0758 );
|
|
lowCpCoeffs ( 4.67182 0.0185568 3.19009e-05 -5.45882e-08 2.3268e-11 -8574.1 9.32034 );
|
|
}
|
|
}
|
|
C8H16_CyOctane
|
|
{
|
|
specie
|
|
{
|
|
molWeight 112.217;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 14.3021 0.0496508 -1.78593e-05 2.88552e-09 -1.72833e-13 -22644.7 -60.192 );
|
|
lowCpCoeffs ( 5.6941 -0.00103902 0.000202263 -2.60547e-07 1.02435e-10 -16729.4 2.05729 );
|
|
}
|
|
}
|
|
NF2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 52.0035;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.83648 0.00121153 -4.68275e-07 7.99973e-11 -4.97731e-15 2107.54 -4.1367 );
|
|
lowCpCoeffs ( 3.03836 0.0066255 1.6161e-06 -9.88701e-09 5.26181e-12 2942.28 10.7415 );
|
|
}
|
|
}
|
|
C17H36_HeptaDecan
|
|
{
|
|
specie
|
|
{
|
|
molWeight 240.476;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 50.1828 0.083126 -3.24661e-05 5.99527e-09 -4.17934e-13 -71590.6 -223.901 );
|
|
lowCpCoeffs ( 25.4988 -0.0232046 0.000489081 -6.41263e-07 2.56308e-10 -57120.9 -56.2617 );
|
|
}
|
|
}
|
|
HNOH+_cis
|
|
{
|
|
specie
|
|
{
|
|
molWeight 32.0215;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.07143 0.00600887 -2.12194e-06 3.38552e-10 -2.00985e-14 124742 7.51073 );
|
|
lowCpCoeffs ( 4.4053 -0.00707262 2.9719e-05 -3.00636e-08 1.02887e-11 124874 3.01454 );
|
|
}
|
|
}
|
|
N-
|
|
{
|
|
specie
|
|
{
|
|
molWeight 14.0072;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.50905 -9.68314e-06 3.89425e-09 -6.76534e-13 4.25897e-17 57619.3 4.94902 );
|
|
lowCpCoeffs ( 2.62995 -0.000614019 1.17431e-06 -1.02139e-09 3.33788e-13 57598.9 4.38987 );
|
|
}
|
|
}
|
|
Ag-
|
|
{
|
|
specie
|
|
{
|
|
molWeight 107.871;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.50068 0 0 0 0 17665.5 5.86587 );
|
|
lowCpCoeffs ( 2.50068 0 0 0 0 17665.5 5.86587 );
|
|
}
|
|
}
|
|
C7H7_Benzyl_rad
|
|
{
|
|
specie
|
|
{
|
|
molWeight 91.1338;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 14.044 0.0234939 -8.53754e-06 1.38908e-09 -8.36144e-14 18564.2 -51.6656 );
|
|
lowCpCoeffs ( 0.481115 0.0385128 3.28615e-05 -7.69727e-08 3.54231e-11 23307 23.5488 );
|
|
}
|
|
}
|
|
CrO3-
|
|
{
|
|
specie
|
|
{
|
|
molWeight 99.9947;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.8276 0.00104774 -3.53318e-07 6.29373e-11 -4.25024e-15 -91883.1 -18.0063 );
|
|
lowCpCoeffs ( 2.11787 0.0268535 -4.01996e-05 2.90199e-08 -8.21093e-12 -90392 14.8596 );
|
|
}
|
|
}
|
|
C3Br4_PerBrAllene
|
|
{
|
|
specie
|
|
{
|
|
molWeight 355.637;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 15.5725 0.00340306 -1.30886e-06 2.2093e-10 -1.36363e-14 32840.6 -40.1093 );
|
|
lowCpCoeffs ( 5.07978 0.0510556 -9.07965e-05 7.90759e-08 -2.65408e-11 34927.9 9.80965 );
|
|
}
|
|
}
|
|
m-C6H4I2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 329.908;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 16.0908 0.0162363 -5.91117e-06 9.63343e-10 -5.80652e-14 22483.3 -53.0466 );
|
|
lowCpCoeffs ( 3.46942 0.0348832 1.81906e-05 -5.63875e-08 2.71654e-11 26640.2 15.7521 );
|
|
}
|
|
}
|
|
C5H3_CycloPentat
|
|
{
|
|
specie
|
|
{
|
|
molWeight 63.0797;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 9.96856 0.0106986 -3.84712e-06 6.21851e-10 -3.72711e-14 82210.4 -27.335 );
|
|
lowCpCoeffs ( 0.834767 0.0287964 -2.96406e-07 -2.65865e-08 1.46564e-11 84975.1 21.2819 );
|
|
}
|
|
}
|
|
CNH2+_triradical
|
|
{
|
|
specie
|
|
{
|
|
molWeight 28.0332;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.03158 0.00496998 -1.70583e-06 2.66762e-10 -1.56095e-14 139430 1.75592 );
|
|
lowCpCoeffs ( 2.76505 0.00885593 -6.51035e-06 3.08974e-09 -6.53498e-13 139776 8.23958 );
|
|
}
|
|
}
|
|
CH3S_Radical
|
|
{
|
|
specie
|
|
{
|
|
molWeight 47.0991;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.62809 0.00750243 -2.70632e-06 4.37671e-10 -2.61527e-14 12656.4 0.0415868 );
|
|
lowCpCoeffs ( 2.56437 0.0115796 -4.5012e-06 -5.02342e-10 6.95253e-13 13370.6 11.2505 );
|
|
}
|
|
}
|
|
CHFCl2___FC-21
|
|
{
|
|
specie
|
|
{
|
|
molWeight 102.924;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.37402 0.00430314 -1.59218e-06 2.62235e-10 -1.59211e-14 -37378.9 -14.6847 );
|
|
lowCpCoeffs ( 2.48413 0.0208069 -1.61071e-05 2.49103e-09 1.65635e-12 -35794.2 15.5939 );
|
|
}
|
|
}
|
|
C4H9O_DiEthyl_Beta
|
|
{
|
|
specie
|
|
{
|
|
molWeight 73.1157;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 11.7736 0.0236954 -8.7034e-06 1.41498e-09 -8.48928e-14 -14694.6 -31.9316 );
|
|
lowCpCoeffs ( 6.88402 0.00432667 8.55199e-05 -1.13677e-07 4.5042e-11 -11780.9 1.18347 );
|
|
}
|
|
}
|
|
Rn+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 221.999;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.5 -3.3637e-07 6.03008e-10 -3.16377e-13 5.05155e-17 124731 8.33887 );
|
|
lowCpCoeffs ( 2.5 -3.13233e-12 7.96293e-15 -8.46906e-18 3.21091e-21 124730 8.33873 );
|
|
}
|
|
}
|
|
ICN
|
|
{
|
|
specie
|
|
{
|
|
molWeight 152.922;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.71312 0.00172726 -6.60163e-07 1.11465e-10 -6.88391e-15 24878.3 -2.23007 );
|
|
lowCpCoeffs ( 2.77445 0.0190566 -4.01281e-05 3.95415e-08 -1.43596e-11 25321.3 10.9191 );
|
|
}
|
|
}
|
|
C8H9_C6H5CH2CH2*
|
|
{
|
|
specie
|
|
{
|
|
molWeight 105.161;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 16.1327 0.0282904 -1.01802e-05 1.64177e-09 -9.81375e-14 20879.1 -60.0115 );
|
|
lowCpCoeffs ( 0.733299 0.0459053 3.78257e-05 -9.12367e-08 4.2559e-11 26157.3 25.0411 );
|
|
}
|
|
}
|
|
C2H4F_alfa-Fluor
|
|
{
|
|
specie
|
|
{
|
|
molWeight 47.0526;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.75331 0.0111538 -3.96206e-06 6.34664e-10 -3.77832e-14 -11717.3 -3.95889 );
|
|
lowCpCoeffs ( 4.74844 0.000509115 3.62637e-05 -4.54978e-08 1.75184e-11 -10776.8 4.50274 );
|
|
}
|
|
}
|
|
H2NC=O__H2N-C*=O
|
|
{
|
|
specie
|
|
{
|
|
molWeight 44.0332;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.69169 0.00608718 -2.09434e-06 3.28449e-10 -1.92704e-14 -3810.29 -3.2271 );
|
|
lowCpCoeffs ( 3.5364 0.00973407 -3.87293e-07 -5.90128e-09 3.01182e-12 -3096.24 8.47952 );
|
|
}
|
|
}
|
|
MgN
|
|
{
|
|
specie
|
|
{
|
|
molWeight 38.3187;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.23976 0.000330092 -1.0708e-07 1.8392e-11 -1.14859e-15 33376.4 2.62979 );
|
|
lowCpCoeffs ( 2.81483 0.00567253 -7.76529e-06 4.91168e-09 -1.15374e-12 33690 9.61659 );
|
|
}
|
|
}
|
|
NCCHO
|
|
{
|
|
specie
|
|
{
|
|
molWeight 55.0364;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.42262 0.00603503 -2.21102e-06 3.61593e-10 -2.18402e-14 2821.71 -6.42841 );
|
|
lowCpCoeffs ( 3.63363 0.0118742 -5.03743e-06 -8.99835e-10 1.01584e-12 3741.09 8.57238 );
|
|
}
|
|
}
|
|
C2_singlet
|
|
{
|
|
specie
|
|
{
|
|
molWeight 24.0223;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.25289 0.0012319 -4.50354e-07 7.49357e-11 -4.57925e-15 98373.7 3.9586 );
|
|
lowCpCoeffs ( 3.69386 -0.00184767 5.23713e-06 -3.83965e-09 8.61136e-13 98382.2 2.23677 );
|
|
}
|
|
}
|
|
OT_Tritium_Hydro
|
|
{
|
|
specie
|
|
{
|
|
molWeight 63.8994;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.88825 0.00164515 -6.50821e-07 1.20402e-10 -8.33166e-15 2334.3 6.39525 );
|
|
lowCpCoeffs ( 4.08062 -0.00287286 5.10774e-06 -2.53109e-09 2.10241e-13 2100.57 0.626562 );
|
|
}
|
|
}
|
|
Si3N4(cr)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 140.285;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 4000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 10.4649 0.0112829 -3.57686e-06 5.27938e-10 -2.11603e-14 -98627.2 -55.619 );
|
|
lowCpCoeffs ( -4.41421 0.0869689 -0.000150868 1.28733e-07 -4.17424e-11 -96201.2 12.8171 );
|
|
}
|
|
}
|
|
C6H4Cl2_o-Clbenzen
|
|
{
|
|
specie
|
|
{
|
|
molWeight 147.005;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 15.5736 0.0167342 -6.09969e-06 9.94882e-10 -6.00012e-14 -3311.91 -54.8386 );
|
|
lowCpCoeffs ( 1.26045 0.0432014 3.15096e-06 -4.31886e-08 2.27188e-11 1174.2 21.9736 );
|
|
}
|
|
}
|
|
Cu(L)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 63.54;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 1358;
|
|
Thigh 6000;
|
|
Tcommon 1358;
|
|
highCpCoeffs ( 3.94491 0 0 0 0 -210.635 -18.3586 );
|
|
lowCpCoeffs 7 { 0 };
|
|
}
|
|
}
|
|
C6H5_phenyl_radi
|
|
{
|
|
specie
|
|
{
|
|
molWeight 77.1068;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 10.9541 0.0182073 -6.63331e-06 1.08126e-09 -6.51737e-14 35109.8 -36.4321 );
|
|
lowCpCoeffs ( 0.491024 0.017267 7.02556e-05 -1.1339e-07 4.89203e-11 39234.1 24.2505 );
|
|
}
|
|
}
|
|
C3H4N2__Imidogen
|
|
{
|
|
specie
|
|
{
|
|
molWeight 68.0787;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.93833 0.014122 -5.04279e-06 8.11463e-10 -4.84884e-14 11793.5 -24.5335 );
|
|
lowCpCoeffs ( 1.46541 0.00995768 6.26099e-05 -9.62988e-08 4.10464e-11 14856.3 19.5219 );
|
|
}
|
|
}
|
|
PbBr
|
|
{
|
|
specie
|
|
{
|
|
molWeight 287.091;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.88336 -0.000786114 5.80804e-07 -1.28047e-10 8.7546e-15 6313.94 5.06201 );
|
|
lowCpCoeffs ( 3.91081 0.00342699 -7.50571e-06 7.38046e-09 -2.6538e-12 6530.82 9.77305 );
|
|
}
|
|
}
|
|
CuF
|
|
{
|
|
specie
|
|
{
|
|
molWeight 82.5384;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.1279 0.000620362 -3.27426e-07 7.90783e-11 -5.64502e-15 -2801.79 3.45842 );
|
|
lowCpCoeffs ( 2.73885 0.00704159 -1.18167e-05 9.41509e-09 -2.8846e-12 -2551.82 9.98475 );
|
|
}
|
|
}
|
|
SF4
|
|
{
|
|
specie
|
|
{
|
|
molWeight 108.058;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 11.2659 0.00180481 -7.13578e-07 1.22568e-10 -7.65469e-15 -95260.7 -30.0199 );
|
|
lowCpCoeffs ( 0.279307 0.0496112 -8.41672e-05 6.79077e-08 -2.11589e-11 -93075.4 22.4861 );
|
|
}
|
|
}
|
|
HOBr+___ATcT_C
|
|
{
|
|
specie
|
|
{
|
|
molWeight 96.9077;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.34128 0.00212281 -7.0709e-07 1.08238e-10 -6.23594e-15 115300 4.81061 );
|
|
lowCpCoeffs ( 2.91979 0.00689554 -6.45287e-06 2.84395e-09 -3.4742e-13 115634 11.9034 );
|
|
}
|
|
}
|
|
H4C3_PROPYNE
|
|
{
|
|
specie
|
|
{
|
|
molWeight 40.0653;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.02524 0.0113365 -4.02234e-06 6.43761e-10 -3.82996e-14 19620.9 -8.60438 );
|
|
lowCpCoeffs ( 2.68039 0.0157997 2.50706e-06 -1.36576e-08 6.61543e-12 20802.4 9.87694 );
|
|
}
|
|
}
|
|
C4H9_n-butyl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 57.1163;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.97402 0.0239704 -8.48704e-06 1.35644e-09 -8.06235e-14 5191.62 -23.1076 );
|
|
lowCpCoeffs ( 4.73738 0.00969052 6.63846e-05 -9.24799e-08 3.74006e-11 7573.82 4.91063 );
|
|
}
|
|
}
|
|
C5H8O2_2-Pentenoic
|
|
{
|
|
specie
|
|
{
|
|
molWeight 100.118;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.5278 0.0251769 -9.11142e-06 1.47235e-09 -8.80615e-14 -51894 -32.8339 );
|
|
lowCpCoeffs ( 6.44846 0.0149046 6.25237e-05 -9.05328e-08 3.66335e-11 -48899.9 5.10356 );
|
|
}
|
|
}
|
|
O-C12D9_Biphenyl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 162.261;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 29.0782 0.0303359 -1.15656e-05 1.94001e-09 -1.19199e-13 33577.4 -129.482 );
|
|
lowCpCoeffs ( -5.22993 0.12112 -9.03793e-05 1.95114e-08 4.64731e-12 43418.6 49.0845 );
|
|
}
|
|
}
|
|
C4__singlet
|
|
{
|
|
specie
|
|
{
|
|
molWeight 48.0446;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 7.40815 0.00301895 -1.1491e-06 1.92636e-10 -1.18335e-14 124381 -14.0638 );
|
|
lowCpCoeffs ( 3.68332 0.0173135 -2.61612e-05 2.24304e-08 -7.80714e-12 125295 4.41423 );
|
|
}
|
|
}
|
|
C4H8O_EthylOxyran
|
|
{
|
|
specie
|
|
{
|
|
molWeight 72.1078;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 9.75284 0.0236899 -8.50522e-06 1.36844e-09 -8.16432e-14 -19057.9 -26.9576 );
|
|
lowCpCoeffs ( 4.93938 0.000544816 0.000101223 -1.34563e-07 5.40809e-11 -16097.4 6.34374 );
|
|
}
|
|
}
|
|
BI3
|
|
{
|
|
specie
|
|
{
|
|
molWeight 391.524;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 9.35439 0.000675697 -2.6809e-07 4.61564e-11 -2.88732e-15 -403.838 -11.7291 );
|
|
lowCpCoeffs ( 4.77571 0.0213024 -3.74747e-05 3.11385e-08 -9.93666e-12 477.352 9.99525 );
|
|
}
|
|
}
|
|
C6H5ClO__2,4-cyc
|
|
{
|
|
specie
|
|
{
|
|
molWeight 128.559;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 15.1796 0.0196991 -7.15109e-06 1.16305e-09 -7.00009e-14 -11124.2 -53.061 );
|
|
lowCpCoeffs ( 1.69566 0.0378572 2.39639e-05 -6.58152e-08 3.11191e-11 -6584.25 20.8957 );
|
|
}
|
|
}
|
|
N2F2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 66.0102;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 7.92662 0.00210024 -8.17223e-07 1.38948e-10 -8.61787e-15 4721.26 -14.2652 );
|
|
lowCpCoeffs ( 2.69443 0.0199963 -2.52394e-05 1.59672e-08 -4.07862e-12 6003.07 11.934 );
|
|
}
|
|
}
|
|
C8H6__Pentalene
|
|
{
|
|
specie
|
|
{
|
|
molWeight 102.137;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 14.8427 0.0225478 -8.14867e-06 1.32149e-09 -7.93819e-14 37956.9 -57.4754 );
|
|
lowCpCoeffs ( -0.764087 0.0377083 5.09846e-05 -1.05932e-07 4.84875e-11 43372.5 29.2151 );
|
|
}
|
|
}
|
|
C2H2Br2_trans
|
|
{
|
|
specie
|
|
{
|
|
molWeight 185.84;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.74335 0.00636278 -2.26607e-06 3.63853e-10 -2.17043e-14 8648.29 -14.8422 );
|
|
lowCpCoeffs ( 3.8637 0.016965 -3.41692e-06 -1.08161e-08 6.58651e-12 10083.8 10.913 );
|
|
}
|
|
}
|
|
SiCl2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 98.992;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.66686 0.000350876 -1.39715e-07 2.41101e-11 -1.51057e-15 -21699.7 -4.42269 );
|
|
lowCpCoeffs ( 2.99426 0.0193692 -3.87596e-05 3.54295e-08 -1.21328e-11 -21088.1 12.4693 );
|
|
}
|
|
}
|
|
C5H10__2MB-2-ene
|
|
{
|
|
specie
|
|
{
|
|
molWeight 70.1355;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.68767 0.0288066 -1.02545e-05 1.64496e-09 -9.80249e-14 -9661.35 -19.4357 );
|
|
lowCpCoeffs ( 8.57165 -0.0108173 0.00011625 -1.36477e-07 5.12595e-11 -7642.49 -9.0612 );
|
|
}
|
|
}
|
|
N-DODECANE
|
|
{
|
|
specie
|
|
{
|
|
molWeight 170.341;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 37.0188 0.0554721 -1.9208e-05 3.08176e-09 -1.84801e-13 -52698.4 -161.454 );
|
|
lowCpCoeffs ( 21.3264 -0.0386394 0.000399476 -5.06681e-07 2.00698e-10 -42247.5 -48.5848 );
|
|
}
|
|
}
|
|
HCCN_Triplet
|
|
{
|
|
specie
|
|
{
|
|
molWeight 39.037;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.0382 0.00342241 -1.2069e-06 1.92501e-10 -1.14297e-14 55221.8 -5.90236 );
|
|
lowCpCoeffs ( 2.66958 0.0190287 -3.17733e-05 2.83582e-08 -9.84842e-12 55902 10.1148 );
|
|
}
|
|
}
|
|
S2F2__(S=SF2)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 102.125;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.94019 0.0011045 -4.36228e-07 7.46298e-11 -4.62044e-15 -42885 -16.6739 );
|
|
lowCpCoeffs ( 1.49372 0.0342576 -5.94657e-05 4.87691e-08 -1.53762e-11 -41437.9 18.7375 );
|
|
}
|
|
}
|
|
C4H4O2_1,4-Dioxin
|
|
{
|
|
specie
|
|
{
|
|
molWeight 84.0753;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 11.1011 0.0150838 -5.43681e-06 8.8015e-10 -5.28068e-14 -15488.9 -35.9169 );
|
|
lowCpCoeffs ( 1.13902 0.0239994 3.49181e-05 -7.06337e-08 3.21525e-11 -11998.9 19.5921 );
|
|
}
|
|
}
|
|
Cr2O3(I)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 151.99;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 310;
|
|
Thigh 335;
|
|
Tcommon 335;
|
|
highCpCoeffs 7 { 0 };
|
|
lowCpCoeffs ( 244.357 -1.39945 0.00211351 0 0 -166503 -1059.17 );
|
|
}
|
|
}
|
|
OS(g)__Osmium
|
|
{
|
|
specie
|
|
{
|
|
molWeight 190.2;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 1.32541 0.00197569 -6.1281e-07 9.67722e-11 -5.67805e-15 94456 15.4025 );
|
|
lowCpCoeffs ( 2.66552 -0.00107847 2.15585e-06 -1.50655e-09 5.43029e-13 94011.2 8.21245 );
|
|
}
|
|
}
|
|
C4H10N2_1,4-PIPE
|
|
{
|
|
specie
|
|
{
|
|
molWeight 86.1377;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 10.488 0.0314741 -1.12834e-05 1.81934e-09 -1.08829e-13 -2322.86 -37.0633 );
|
|
lowCpCoeffs ( 3.22863 0.00300564 0.000130126 -1.73155e-07 6.91837e-11 1919.31 11.848 );
|
|
}
|
|
}
|
|
C3H7O_Propoxy_rad
|
|
{
|
|
specie
|
|
{
|
|
molWeight 59.0886;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.38041 0.0195206 -6.97374e-06 1.12145e-09 -6.69468e-14 -8486.25 -18.9916 );
|
|
lowCpCoeffs ( 4.21935 0.00738557 6.02826e-05 -8.3868e-08 3.39623e-11 -6234.92 8.0814 );
|
|
}
|
|
}
|
|
C3H5NH2_Cyclopro
|
|
{
|
|
specie
|
|
{
|
|
molWeight 57.0959;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.81784 0.0186615 -6.56275e-06 1.04462e-09 -6.19289e-14 5064.29 -24.9931 );
|
|
lowCpCoeffs ( 2.35523 0.00749404 7.8186e-05 -1.13776e-07 4.76402e-11 8025.83 14.7903 );
|
|
}
|
|
}
|
|
ClCN+___ATcT_C
|
|
{
|
|
specie
|
|
{
|
|
molWeight 61.4703;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.65936 0.00178417 -6.76173e-07 1.13042e-10 -6.93125e-15 158450 -3.88215 );
|
|
lowCpCoeffs ( 3.23116 0.0110446 -1.57844e-05 1.2202e-08 -3.81984e-12 159025 8.10857 );
|
|
}
|
|
}
|
|
C6H11__2-ene-6-yl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 83.1546;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.7606 0.0301168 -1.08197e-05 1.73977e-09 -1.03693e-13 12210 -35.402 );
|
|
lowCpCoeffs ( 6.23789 0.0186371 7.02343e-05 -1.04621e-07 4.32055e-11 15382.9 5.23416 );
|
|
}
|
|
}
|
|
WC(cr)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 195.861;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 2500;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.38395 0.00250168 -1.16682e-06 3.41491e-10 -4.23363e-14 -6368.39 -22.0015 );
|
|
lowCpCoeffs ( -0.959051 0.0301942 -5.54531e-05 4.76474e-08 -1.54115e-11 -5528.87 2.43098 );
|
|
}
|
|
}
|
|
C4F8_CY
|
|
{
|
|
specie
|
|
{
|
|
molWeight 200.032;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 25.8597 0.0140579 -8.63426e-06 1.87431e-09 -1.39853e-13 -193083 -108.62 );
|
|
lowCpCoeffs ( -6.40876 0.117788 -0.000157354 1.1578e-07 -3.71123e-11 -184189 56.1863 );
|
|
}
|
|
}
|
|
CHCl3_Chloroform
|
|
{
|
|
specie
|
|
{
|
|
molWeight 119.378;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.87416 0.00380079 -1.39787e-06 2.29338e-10 -1.38871e-14 -15607.7 -16.9517 );
|
|
lowCpCoeffs ( 2.51403 0.0251579 -2.84529e-05 1.51228e-08 -2.84924e-12 -14064 14.8973 );
|
|
}
|
|
}
|
|
C5H5_1yne3ene5yl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 65.0956;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 10.899 0.0142905 -5.02395e-06 7.99342e-10 -4.73687e-14 41750.7 -30.3966 );
|
|
lowCpCoeffs ( 0.0957517 0.0493848 -4.74598e-05 2.22751e-08 -3.37835e-12 44449.3 24.0272 );
|
|
}
|
|
}
|
|
H3PO3__[P(OH)3]
|
|
{
|
|
specie
|
|
{
|
|
molWeight 81.9959;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 11.8294 0.00395722 -1.17744e-06 1.64471e-10 -8.80363e-15 -96759.5 -31.7885 );
|
|
lowCpCoeffs ( -2.12071 0.0661557 -0.000104909 7.66978e-08 -2.10584e-11 -94254.6 33.9942 );
|
|
}
|
|
}
|
|
ZnSO4(b)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 161.432;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 1013;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 17.4616 0 0 0 0 -121137 -85.1421 );
|
|
lowCpCoeffs 7 { 0 };
|
|
}
|
|
}
|
|
CH3CO_ACETYL_RAD
|
|
{
|
|
specie
|
|
{
|
|
molWeight 43.0456;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.31372 0.00917378 -3.32204e-06 5.39475e-10 -3.24524e-14 -3645.04 -1.67576 );
|
|
lowCpCoeffs ( 4.03587 0.000877295 3.071e-05 -3.92476e-08 1.52969e-11 -2682.07 7.86177 );
|
|
}
|
|
}
|
|
N2H2_Isodiazene
|
|
{
|
|
specie
|
|
{
|
|
molWeight 30.0293;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.05904 0.00618382 -2.22171e-06 3.58539e-10 -2.14533e-14 34853 6.69894 );
|
|
lowCpCoeffs ( 4.53204 -0.00732419 3.00804e-05 -3.04001e-08 1.04701e-11 34958 1.51074 );
|
|
}
|
|
}
|
|
HSO3__HO-SO2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 81.0702;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.1942 0.00377828 -1.34903e-06 2.17197e-10 -1.29875e-14 -45501.3 -12.3825 );
|
|
lowCpCoeffs ( 3.18471 0.0192278 -1.85976e-05 7.95502e-09 -9.42255e-13 -44215.7 13.0497 );
|
|
}
|
|
}
|
|
NOO+___cation
|
|
{
|
|
specie
|
|
{
|
|
molWeight 46.005;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.35748 0.00165117 -6.39491e-07 1.08398e-10 -6.70886e-15 167558 -2.27541 );
|
|
lowCpCoeffs ( 2.63803 0.00902052 -7.43871e-06 2.20619e-09 4.48195e-14 168325 11.828 );
|
|
}
|
|
}
|
|
CH3-NH-NH2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 46.0724;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.63737 0.0156702 -5.47122e-06 8.65945e-10 -5.1111e-14 9956.14 -10.5807 );
|
|
lowCpCoeffs ( 3.36546 0.00916487 4.07415e-05 -6.18271e-08 2.62064e-11 11498.2 9.75315 );
|
|
}
|
|
}
|
|
SCl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 67.517;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.54957 6.21626e-06 9.54747e-09 -1.19389e-12 1.40422e-16 17475.5 2.64515 );
|
|
lowCpCoeffs ( 2.77656 0.0122409 -2.94739e-05 3.00395e-08 -1.10187e-11 17652.6 10.1409 );
|
|
}
|
|
}
|
|
H5F5
|
|
{
|
|
specie
|
|
{
|
|
molWeight 100.032;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 15.8953 0.00999916 -3.41075e-06 5.30901e-10 -3.09568e-14 -184745 -44.0994 );
|
|
lowCpCoeffs ( 3.8423 0.0646759 -9.95255e-05 7.69218e-08 -2.29308e-11 -182509 12.802 );
|
|
}
|
|
}
|
|
CH2O2+__CH2(OO)+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 46.0253;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.31079 0.00681457 -2.44414e-06 3.94316e-10 -2.35995e-14 123962 -3.56343 );
|
|
lowCpCoeffs ( 1.72344 0.0104777 8.10878e-06 -1.82555e-08 7.99749e-12 125258 16.4888 );
|
|
}
|
|
}
|
|
F2O2+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 69.9951;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.22766 0.00181732 -7.12088e-07 1.216e-10 -7.56365e-15 152573 -14.5741 );
|
|
lowCpCoeffs ( 2.83233 0.0197236 -2.3664e-05 1.35763e-08 -3.02135e-12 153905 12.5337 );
|
|
}
|
|
}
|
|
C3Cl3_123Cy-Radic
|
|
{
|
|
specie
|
|
{
|
|
molWeight 142.392;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.5059 0.00351977 -1.36521e-06 2.31662e-10 -1.43493e-14 43521.9 -31.6727 );
|
|
lowCpCoeffs ( 2.6076 0.0421845 -6.38673e-05 4.88744e-08 -1.49214e-11 45742.6 16.8009 );
|
|
}
|
|
}
|
|
N2H4+__Hydrazine
|
|
{
|
|
specie
|
|
{
|
|
molWeight 32.0447;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.04799 0.00832204 -2.7692e-06 4.23826e-10 -2.4423e-14 103705 -3.51749 );
|
|
lowCpCoeffs ( 2.25889 0.0136919 -1.85454e-06 -6.85379e-09 3.75776e-12 104567 11.402 );
|
|
}
|
|
}
|
|
Mg2TiO4(cr)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 160.522;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 2013;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 14.414 0.0117347 -5.8633e-06 2.10964e-09 -3.11711e-13 -265265 -72.0321 );
|
|
lowCpCoeffs ( -9.47591 0.165899 -0.000385971 4.2068e-07 -1.72383e-10 -262199 32.1499 );
|
|
}
|
|
}
|
|
C5H12O2_n-Pentyl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 104.15;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 13.4252 0.0347986 -1.24002e-05 1.98587e-09 -1.18187e-13 -34059 -40.314 );
|
|
lowCpCoeffs ( 9.50612 -0.0110681 0.000164252 -2.05201e-07 8.02028e-11 -30358 -6.71933 );
|
|
}
|
|
}
|
|
C6H5+_phenyl_cat
|
|
{
|
|
specie
|
|
{
|
|
molWeight 77.1062;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 11.5692 0.0172456 -6.19164e-06 9.99618e-10 -5.98576e-14 132117 -38.7633 );
|
|
lowCpCoeffs ( -3.37018 0.058839 -4.54626e-05 1.28152e-08 7.41617e-13 136236 38.3377 );
|
|
}
|
|
}
|
|
CH3-NH-CH3
|
|
{
|
|
specie
|
|
{
|
|
molWeight 45.0848;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.04266 0.0181505 -6.40297e-06 1.0208e-09 -6.05674e-14 -5071.89 -8.95082 );
|
|
lowCpCoeffs ( 4.84263 -0.00223651 6.82703e-05 -8.54284e-08 3.33025e-11 -3629.72 2.86478 );
|
|
}
|
|
}
|
|
Fe3C_(L)_Liquid
|
|
{
|
|
specie
|
|
{
|
|
molWeight 179.552;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 1500;
|
|
Thigh 2000;
|
|
Tcommon 1500;
|
|
highCpCoeffs ( 14.6662 -0.00016608 1.41368e-07 -5.33049e-11 7.51358e-15 5300.22 -65.9622 );
|
|
lowCpCoeffs 7 { 0 };
|
|
}
|
|
}
|
|
C4H4N2O2_Uracil
|
|
{
|
|
specie
|
|
{
|
|
molWeight 112.089;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 14.7707 0.017223 -6.22609e-06 1.01024e-09 -6.07182e-14 -42750.6 -52.3073 );
|
|
lowCpCoeffs ( -0.00318544 0.0482332 -9.46927e-06 -2.96144e-08 1.75709e-11 -38270.9 26.1588 );
|
|
}
|
|
}
|
|
CT_Tritium_Carbon
|
|
{
|
|
specie
|
|
{
|
|
molWeight 15.0351;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.09929 0.0016417 -7.01108e-07 1.37864e-10 -9.99412e-15 69211.9 4.95146 );
|
|
lowCpCoeffs ( 3.79677 -0.00339523 1.16464e-05 -1.26193e-08 4.73918e-12 69156.6 2.06171 );
|
|
}
|
|
}
|
|
Si2N2O(cr)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 100.185;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 2500;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.1892 0.0114248 -7.62302e-06 2.62439e-09 -3.38292e-13 -117067 -44.9072 );
|
|
lowCpCoeffs ( -20.2068 0.170482 -0.000336426 3.00241e-07 -9.98127e-11 -113108 82.2532 );
|
|
}
|
|
}
|
|
Pb(L)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 207.19;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 600.65;
|
|
Thigh 3600;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.18191 -0.000984151 3.5534e-07 -1.75808e-11 -3.23884e-15 -756.066 -15.11 );
|
|
lowCpCoeffs ( 3.4068 0.00203222 -4.17417e-06 3.08397e-09 -8.16531e-13 -592.028 -11.3378 );
|
|
}
|
|
}
|
|
C10H16_endo
|
|
{
|
|
specie
|
|
{
|
|
molWeight 136.239;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 18.6157 0.0514367 -1.85739e-05 3.00925e-09 -1.80605e-13 -18615.2 -85.5638 );
|
|
lowCpCoeffs ( 1.72792 0.009545 0.000237838 -3.29952e-07 1.35147e-10 -10077.7 21.9331 );
|
|
}
|
|
}
|
|
C6H11__2M2EN4YL
|
|
{
|
|
specie
|
|
{
|
|
molWeight 83.1546;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 11.5465 0.0322526 -1.17194e-05 1.89817e-09 -1.13684e-13 2757.09 -32.4744 );
|
|
lowCpCoeffs ( 7.15574 0.0134674 7.3854e-05 -9.94467e-08 3.88336e-11 5562.68 -2.10098 );
|
|
}
|
|
}
|
|
MgF2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 62.3088;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.94357 0.000579628 -2.29302e-07 3.94015e-11 -2.46141e-15 -90689.2 -10.2756 );
|
|
lowCpCoeffs ( 3.50345 0.0153264 -2.55678e-05 2.03188e-08 -6.24994e-12 -89996.7 6.21246 );
|
|
}
|
|
}
|
|
C2H5OH
|
|
{
|
|
specie
|
|
{
|
|
molWeight 46.0695;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.56244 0.0152042 -5.38968e-06 8.6225e-10 -5.12898e-14 -31525.6 -9.47302 );
|
|
lowCpCoeffs ( 4.8587 -0.00374017 6.95554e-05 -8.86548e-08 3.51688e-11 -29996.1 4.80185 );
|
|
}
|
|
}
|
|
C8H8___2,3,5,7_Cy
|
|
{
|
|
specie
|
|
{
|
|
molWeight 104.153;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 14.743 0.0279524 -1.00806e-05 1.63196e-09 -9.78981e-14 39513.5 -55.1821 );
|
|
lowCpCoeffs ( 1.14301 0.035313 5.72604e-05 -1.06436e-07 4.68686e-11 44609.9 22.0131 );
|
|
}
|
|
}
|
|
SF3-
|
|
{
|
|
specie
|
|
{
|
|
molWeight 89.0597;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 9.03532 0.00100992 -4.00741e-07 6.89968e-11 -4.31614e-15 -98021.6 -18.5157 );
|
|
lowCpCoeffs ( 1.81903 0.0328003 -5.5909e-05 4.47317e-08 -1.37328e-11 -96617.7 15.8411 );
|
|
}
|
|
}
|
|
C17H32O2_Margarole
|
|
{
|
|
specie
|
|
{
|
|
molWeight 268.443;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 36.3911 0.100316 -3.622e-05 5.86346e-09 -3.51591e-13 -92951 -160.056 );
|
|
lowCpCoeffs ( 21.0491 -0.0102709 0.000419815 -5.32462e-07 2.07868e-10 -81389.7 -44.1203 );
|
|
}
|
|
}
|
|
C20H39O2_Archidi
|
|
{
|
|
specie
|
|
{
|
|
molWeight 311.533;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 46.071 0.119712 -4.35487e-05 7.08193e-09 -4.259e-13 -91547.3 -203.156 );
|
|
lowCpCoeffs ( 26.0109 -0.00565397 0.000491302 -6.30041e-07 2.47273e-10 -77346.6 -56.1958 );
|
|
}
|
|
}
|
|
C(NN)__Cyclo
|
|
{
|
|
specie
|
|
{
|
|
molWeight 40.0246;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.85658 0.00214411 -8.2786e-07 1.40042e-10 -8.65507e-15 68022 -0.93489 );
|
|
lowCpCoeffs ( 4.28486 -0.0056017 2.82249e-05 -3.34615e-08 1.28577e-11 68609.5 4.2178 );
|
|
}
|
|
}
|
|
Br2+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 159.801;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.42008 0.000784837 -3.40113e-08 5.89179e-12 -3.70147e-16 125098 0.169598 );
|
|
lowCpCoeffs ( 3.50495 0.00517631 -8.2508e-06 6.97342e-09 -2.22745e-12 125260 4.44227 );
|
|
}
|
|
}
|
|
Fe3C_(S)_Solid-B
|
|
{
|
|
specie
|
|
{
|
|
molWeight 179.552;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 485;
|
|
Thigh 1500;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.9118 0.00145677 5.11471e-08 -2.0313e-11 2.64589e-15 -16.2949 -59.622 );
|
|
lowCpCoeffs ( 12.8971 0.00148707 3.83706e-08 -2.70662e-11 6.58823e-15 -11.5746 -59.543 );
|
|
}
|
|
}
|
|
CH3-O-CH2-O-CH3
|
|
{
|
|
specie
|
|
{
|
|
molWeight 76.096;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.95642 0.0230965 -8.31919e-06 1.33721e-09 -7.96345e-14 -46051.2 -17.609 );
|
|
lowCpCoeffs ( 6.78228 0.00794775 5.06844e-05 -6.50264e-08 2.46033e-11 -44316.3 -0.993097 );
|
|
}
|
|
}
|
|
C6H6O__Oxepin
|
|
{
|
|
specie
|
|
{
|
|
molWeight 94.1141;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 13.0441 0.0214262 -7.72981e-06 1.25186e-09 -7.51214e-14 4521.22 -46.5094 );
|
|
lowCpCoeffs ( 1.21185 0.0279835 5.21702e-05 -9.59138e-08 4.24654e-11 8891.44 20.471 );
|
|
}
|
|
}
|
|
Cr2N(S)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 117.999;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 1500;
|
|
Thigh 2500;
|
|
Tcommon 1500;
|
|
highCpCoeffs ( -0.512178 0.0194422 -1.18806e-05 3.85877e-09 -4.74545e-13 -14351.9 8.12711 );
|
|
lowCpCoeffs 7 { 0 };
|
|
}
|
|
}
|
|
CH3F__FC-41_-236
|
|
{
|
|
specie
|
|
{
|
|
molWeight 34.0335;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.31348 0.00859183 -3.07886e-06 4.9607e-10 -2.96515e-14 -30137 4.75257 );
|
|
lowCpCoeffs ( 5.03514 -0.0146119 6.06479e-05 -6.6065e-08 2.42867e-11 -29722 0.30807 );
|
|
}
|
|
}
|
|
o-C6H5BrO_cis(Z)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 173.007;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 16.207 0.0181736 -6.56883e-06 1.06573e-09 -6.40486e-14 -17222.8 -58.8572 );
|
|
lowCpCoeffs ( -0.560439 0.0515781 -2.65589e-06 -4.37456e-08 2.41973e-11 -12111.4 30.4787 );
|
|
}
|
|
}
|
|
C3Br2_BrC*=C=CBr*
|
|
{
|
|
specie
|
|
{
|
|
molWeight 195.835;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 10.1639 0.00277668 -1.05897e-06 1.77781e-10 -1.09326e-14 70109 -19.0667 );
|
|
lowCpCoeffs ( 3.30785 0.0336404 -5.89516e-05 5.13273e-08 -1.72755e-11 71496.3 13.6421 );
|
|
}
|
|
}
|
|
C2N+___C-N=C
|
|
{
|
|
specie
|
|
{
|
|
molWeight 38.0285;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.2958 0.00212348 -8.01437e-07 1.33599e-10 -8.1748e-15 193510 -3.55138 );
|
|
lowCpCoeffs ( 5.37858 -0.00187385 1.00226e-05 -1.01155e-08 3.33146e-12 193713 -2.95637 );
|
|
}
|
|
}
|
|
s-2-C4H10O_2-Butan
|
|
{
|
|
specie
|
|
{
|
|
molWeight 74.1237;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 11.3424 0.026039 -9.27545e-06 1.48476e-09 -8.82869e-14 -41154.3 -31.9577 );
|
|
lowCpCoeffs ( 5.26001 0.0142001 7.03427e-05 -1.02396e-07 4.20953e-11 -38158.5 6.16847 );
|
|
}
|
|
}
|
|
C17H34O2_n-Marga
|
|
{
|
|
specie
|
|
{
|
|
molWeight 270.459;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 38.2254 0.103888 -3.74752e-05 6.06331e-09 -3.63447e-13 -109092 -171.546 );
|
|
lowCpCoeffs ( 19.6963 -0.00215164 0.000426909 -5.50956e-07 2.1684e-10 -96524.4 -38.3323 );
|
|
}
|
|
}
|
|
C2H2F2_equil
|
|
{
|
|
specie
|
|
{
|
|
molWeight 64.035;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.9519 0.00714641 -2.79505e-06 4.77439e-10 -2.97191e-14 -44266.9 -22.9204 );
|
|
lowCpCoeffs ( 1.28302 0.0231904 -9.70095e-06 -4.40974e-09 3.38826e-12 -41779.8 18.2379 );
|
|
}
|
|
}
|
|
C8H8__Styrene
|
|
{
|
|
specie
|
|
{
|
|
molWeight 104.153;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 15.582 0.0266093 -9.56145e-06 1.54378e-09 -9.24815e-14 10319.7 -59.8622 );
|
|
lowCpCoeffs ( 1.12656 0.0317045 7.38511e-05 -1.29132e-07 5.65307e-11 15767.6 22.5937 );
|
|
}
|
|
}
|
|
C12H2_linear
|
|
{
|
|
specie
|
|
{
|
|
molWeight 146.15;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 23.9896 0.0150481 -5.49346e-06 8.96603e-10 -5.40893e-14 152534 -89.3767 );
|
|
lowCpCoeffs ( -0.143789 0.134591 -0.000247397 2.25496e-07 -7.81586e-11 157002 23.4002 );
|
|
}
|
|
}
|
|
CH4+__CATION
|
|
{
|
|
specie
|
|
{
|
|
molWeight 16.0425;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.56972 0.00822825 -2.9131e-06 4.65241e-10 -2.76281e-14 136771 0.684968 );
|
|
lowCpCoeffs ( 2.57082 0.0112865 -8.25312e-06 5.64491e-09 -1.92662e-12 137106 5.94507 );
|
|
}
|
|
}
|
|
C24H17
|
|
{
|
|
specie
|
|
{
|
|
molWeight 305.403;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 49.9103 0.0606067 -2.15211e-05 3.70443e-09 -2.46542e-13 51609.9 -236.661 );
|
|
lowCpCoeffs ( -16.409 0.226724 -0.000140015 -2.78751e-09 2.47131e-11 70999.3 110.51 );
|
|
}
|
|
}
|
|
BCl2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 81.717;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.26222 0.000790613 -3.38074e-07 6.61683e-11 -4.4923e-15 -9397.76 -3.69873 );
|
|
lowCpCoeffs ( 3.15653 0.0111779 -1.28091e-05 5.90337e-09 -6.52291e-13 -8658.45 11.819 );
|
|
}
|
|
}
|
|
ClC*=C=CCl*_birad
|
|
{
|
|
specie
|
|
{
|
|
molWeight 106.939;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 10.0837 0.00284926 -1.08526e-06 1.82041e-10 -1.1188e-14 59101.6 -20.5779 );
|
|
lowCpCoeffs ( 3.81527 0.0297273 -4.94946e-05 4.17595e-08 -1.3789e-11 60428.6 9.63469 );
|
|
}
|
|
}
|
|
Ge2S2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 209.308;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 9.6231 0.000473163 -2.08101e-07 3.82977e-11 -2.50936e-15 9996.81 -14.3634 );
|
|
lowCpCoeffs ( 9.74201 -0.00888871 3.42328e-05 -4.242e-08 1.72579e-11 10241 -13.2057 );
|
|
}
|
|
}
|
|
C5H9_Cyclopentyl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 69.1275;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 9.62173 0.0269929 -9.68948e-06 1.56342e-09 -9.35571e-14 7887.3 -29.8816 );
|
|
lowCpCoeffs ( 3.95253 -0.00262301 0.000127597 -1.6792e-07 6.73888e-11 11476.8 9.87655 );
|
|
}
|
|
}
|
|
H2O
|
|
{
|
|
specie
|
|
{
|
|
molWeight 18.0153;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.67704 0.00297318 -7.73769e-07 9.44335e-11 -4.269e-15 -29885.9 6.88255 );
|
|
lowCpCoeffs ( 4.19864 -0.0020364 6.52034e-06 -5.48793e-09 1.77197e-12 -30293.7 -0.849009 );
|
|
}
|
|
}
|
|
CH3CD3
|
|
{
|
|
specie
|
|
{
|
|
molWeight 33.0885;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.72055 0.014219 -5.14924e-06 8.35625e-10 -5.02014e-14 -15905.9 -9.00313 );
|
|
lowCpCoeffs ( 3.37893 0.00296665 4.53526e-05 -5.95544e-08 2.3432e-11 -14371 7.43314 );
|
|
}
|
|
}
|
|
CI4
|
|
{
|
|
specie
|
|
{
|
|
molWeight 519.629;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.3995 0.000631312 -2.51113e-07 4.33028e-11 -2.71172e-15 36545.8 -24.1336 );
|
|
lowCpCoeffs ( 6.28824 0.031585 -6.20356e-05 5.59795e-08 -1.89968e-11 37589.8 4.12331 );
|
|
}
|
|
}
|
|
C6H11__2M4en3yl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 83.1546;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 15.6645 0.0283277 -1.01657e-05 1.63515e-09 -9.75533e-14 3585.53 -54.5845 );
|
|
lowCpCoeffs ( 3.41121 0.0377073 4.07702e-05 -8.40649e-08 3.75404e-11 8067.82 14.3677 );
|
|
}
|
|
}
|
|
B2O3(L)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 69.6202;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 723;
|
|
Thigh 6000;
|
|
Tcommon 723;
|
|
highCpCoeffs ( 15.2802 377412 0 0 0 -156209 -80.5521 );
|
|
lowCpCoeffs 7 { 0 };
|
|
}
|
|
}
|
|
PbF2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 245.187;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.64915 0.000368965 -1.46786e-07 2.53153e-11 -1.58543e-15 -55420.2 -3.14762 );
|
|
lowCpCoeffs ( 3.0901 0.0182756 -3.56645e-05 3.20091e-08 -1.08152e-11 -54808.4 13.3318 );
|
|
}
|
|
}
|
|
C14H10__Phenanth
|
|
{
|
|
specie
|
|
{
|
|
molWeight 178.236;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 26.6043 0.0397676 -1.4571e-05 2.38414e-09 -1.44083e-13 11542.7 -122.474 );
|
|
lowCpCoeffs ( -3.36413 0.0850678 3.755e-05 -1.26667e-07 6.14543e-11 21430.5 40.7973 );
|
|
}
|
|
}
|
|
C9H7N_ISOQUINOLI
|
|
{
|
|
specie
|
|
{
|
|
molWeight 129.163;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 18.5146 0.0279811 -1.02626e-05 1.68026e-09 -1.01589e-13 15638.9 -77.1926 );
|
|
lowCpCoeffs ( -0.822485 0.0462855 6.07471e-05 -1.24938e-07 5.65403e-11 22480.3 30.6201 );
|
|
}
|
|
}
|
|
C5H10O2_Valeric_ac
|
|
{
|
|
specie
|
|
{
|
|
molWeight 102.134;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.4394 0.0310235 -1.11485e-05 1.79691e-09 -1.07375e-13 -63863.2 -35.6551 );
|
|
lowCpCoeffs ( 7.52603 0.000927501 0.0001181 -1.52394e-07 5.98442e-11 -60427.3 0.166058 );
|
|
}
|
|
}
|
|
SbF3
|
|
{
|
|
specie
|
|
{
|
|
molWeight 178.745;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 4000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.87021 0.00135894 -4.85075e-07 7.63331e-11 -4.47035e-15 -100544 -14.7836 );
|
|
lowCpCoeffs ( 1.9919 0.0369571 -7.05842e-05 6.15822e-08 -2.01311e-11 -99449.8 16.7112 );
|
|
}
|
|
}
|
|
CI
|
|
{
|
|
specie
|
|
{
|
|
molWeight 138.916;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 3500;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.92871 -0.00059569 3.82015e-07 -8.13025e-11 5.19718e-15 67096.4 1.00833 );
|
|
lowCpCoeffs ( 1.89139 0.0167386 -3.68508e-05 3.50616e-08 -1.22019e-11 67533.2 14.609 );
|
|
}
|
|
}
|
|
C12H6Cl2O2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 253.086;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 30.5266 0.0309554 -1.14148e-05 1.87613e-09 -1.1375e-13 -24017.6 -133.835 );
|
|
lowCpCoeffs ( -0.461822 0.0962419 -2.0384e-05 -5.84411e-08 3.48745e-11 -14601.1 30.7818 );
|
|
}
|
|
}
|
|
s-(HCOOH)2__DIMER
|
|
{
|
|
specie
|
|
{
|
|
molWeight 92.0518;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 11.6291 0.014835 -5.3953e-06 8.78328e-10 -5.28914e-14 -103759 -32.5539 );
|
|
lowCpCoeffs ( 5.12767 0.0168446 2.91127e-05 -5.07454e-08 2.15547e-11 -101181 4.89874 );
|
|
}
|
|
}
|
|
C13H10O__Benzoph
|
|
{
|
|
specie
|
|
{
|
|
molWeight 182.224;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 26.9509 0.0381874 -1.40904e-05 2.31408e-09 -1.40154e-13 -5147.39 -118.31 );
|
|
lowCpCoeffs ( 2.03306 0.0530785 0.000104699 -1.89967e-07 8.33778e-11 4094.98 22.7448 );
|
|
}
|
|
}
|
|
C2H2Cl2_Equilibriu
|
|
{
|
|
specie
|
|
{
|
|
molWeight 96.9442;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.69447 0.00654382 -2.3625e-06 3.82759e-10 -2.29734e-14 -2900.46 -16.6954 );
|
|
lowCpCoeffs ( 3.1693 0.0208999 -1.24511e-05 -1.40963e-09 3.02713e-12 -1352.37 11.9943 );
|
|
}
|
|
}
|
|
HNO2+_cis____HF2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 47.0129;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.24583 0.00424856 -1.53232e-06 2.48153e-10 -1.48917e-14 120041 -1.39823 );
|
|
lowCpCoeffs ( 2.63706 0.0102578 -5.14296e-06 -5.04116e-10 9.47515e-13 120845 12.4287 );
|
|
}
|
|
}
|
|
CBr
|
|
{
|
|
specie
|
|
{
|
|
molWeight 91.912;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.22277 0.000288157 -1.13837e-07 1.9542e-11 -1.21994e-15 58293.7 3.45831 );
|
|
lowCpCoeffs ( 2.86961 0.00495324 -5.93797e-06 2.93797e-09 -4.07449e-13 58607.3 10.1813 );
|
|
}
|
|
}
|
|
C2(NO2)2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 116.033;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 14.9179 0.00667809 -2.60704e-06 4.39898e-10 -2.70719e-14 36349 -46.407 );
|
|
lowCpCoeffs ( 3.67763 0.0374702 -3.06684e-05 7.87654e-09 1.04579e-12 39473.3 11.7296 );
|
|
}
|
|
}
|
|
CCN__Radical
|
|
{
|
|
specie
|
|
{
|
|
molWeight 38.029;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.51786 0.001955 -7.53385e-07 1.27744e-10 -7.82861e-15 79783.9 -3.83516 );
|
|
lowCpCoeffs ( 3.40723 0.00944214 -1.30137e-05 1.06894e-08 -3.6857e-12 80332.9 6.78654 );
|
|
}
|
|
}
|
|
C10H15__c5h8*-c5
|
|
{
|
|
specie
|
|
{
|
|
molWeight 135.231;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 19.5695 0.0467836 -1.68423e-05 2.72303e-09 -1.63186e-13 10060.1 -80.6235 );
|
|
lowCpCoeffs ( 4.96764 0.0147966 0.000189543 -2.66763e-07 1.09527e-10 17294 11.4431 );
|
|
}
|
|
}
|
|
H2Sn(C2H5)2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 178.83;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 15.3343 0.0285972 -1.03798e-05 1.67881e-09 -1.00479e-13 -320.7 -49.1843 );
|
|
lowCpCoeffs ( 5.22643 0.0383917 2.00663e-05 -5.18249e-08 2.32704e-11 3442.92 7.61235 );
|
|
}
|
|
}
|
|
Al2O3(b)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 101.961;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 1200;
|
|
Thigh 2327;
|
|
Tcommon 1200;
|
|
highCpCoeffs ( 12.2307 0.00361303 -1.36449e-06 5.02558e-10 -6.84619e-14 -205838 -65.8729 );
|
|
lowCpCoeffs 7 { 0 };
|
|
}
|
|
}
|
|
Cr
|
|
{
|
|
specie
|
|
{
|
|
molWeight 51.996;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.92667 -0.00115687 9.15716e-07 -1.94664e-10 1.50119e-14 46952.9 4.53442 );
|
|
lowCpCoeffs ( 2.50263 -2.83284e-05 1.06886e-07 -1.66193e-10 9.08641e-14 47060 6.71096 );
|
|
}
|
|
}
|
|
MgSiO3(III)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 100.396;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 1200;
|
|
Thigh 1900;
|
|
Tcommon 1200;
|
|
highCpCoeffs ( 14.7251 0 0 0 0 -191733 -78.2881 );
|
|
lowCpCoeffs 7 { 0 };
|
|
}
|
|
}
|
|
C5H7Cl2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 138.018;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 17.06 0.0175885 -6.28267e-06 1.0104e-09 -6.0328e-14 6314.77 -51.4696 );
|
|
lowCpCoeffs ( 5.23201 0.0331354 2.66047e-05 -6.82886e-08 3.26324e-11 10193.1 13.1714 );
|
|
}
|
|
}
|
|
C6H7+_1,4_cyDiEne
|
|
{
|
|
specie
|
|
{
|
|
molWeight 79.1221;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 10.9123 0.0233846 -8.44681e-06 1.36899e-09 -8.21878e-14 99911.5 -36.8235 );
|
|
lowCpCoeffs ( -2.80521 0.0489072 -6.43809e-06 -2.69427e-08 1.44157e-11 104376 37.2196 );
|
|
}
|
|
}
|
|
Cu
|
|
{
|
|
specie
|
|
{
|
|
molWeight 63.54;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.21581 -0.00127012 6.40926e-07 -9.03228e-11 3.78142e-15 39561.7 1.80327 );
|
|
lowCpCoeffs ( 2.50007 -7.00564e-07 2.53852e-09 -3.75153e-12 1.92607e-15 39834.3 5.76884 );
|
|
}
|
|
}
|
|
HCCNO2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 71.0358;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 9.24323 0.00611883 -2.22735e-06 3.63051e-10 -2.18882e-14 30008.2 -20.7148 );
|
|
lowCpCoeffs ( 1.34403 0.0333183 -3.93939e-05 2.41125e-08 -5.90505e-12 31935.8 18.7891 );
|
|
}
|
|
}
|
|
S2Cl2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 135.034;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 9.46827 0.00112202 -6.92837e-07 1.38662e-10 -9.29437e-15 -5050.14 -15.2943 );
|
|
lowCpCoeffs ( 3.47905 0.032537 -6.63906e-05 6.21125e-08 -2.17112e-11 -4022.25 12.2792 );
|
|
}
|
|
}
|
|
CHNH2+__cation
|
|
{
|
|
specie
|
|
{
|
|
molWeight 29.0412;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.81828 0.00767778 -2.64425e-06 4.14613e-10 -2.43107e-14 123317 3.58952 );
|
|
lowCpCoeffs ( 2.11182 0.00907863 3.40361e-06 -9.61577e-09 4.26382e-12 123957 13.224 );
|
|
}
|
|
}
|
|
MgI
|
|
{
|
|
specie
|
|
{
|
|
molWeight 151.216;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.54586 -0.00016821 2.12078e-07 -6.30524e-11 5.15306e-15 5985.95 4.48408 );
|
|
lowCpCoeffs ( 3.37174 0.00620585 -1.33798e-05 1.29408e-08 -4.60675e-12 6175.08 9.83486 );
|
|
}
|
|
}
|
|
C25H20___TetraPh
|
|
{
|
|
specie
|
|
{
|
|
molWeight 320.438;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 41.8592 0.079028 -2.87559e-05 4.683e-09 -2.82078e-13 26297 -193.994 );
|
|
lowCpCoeffs ( 2.74818 0.105379 0.000136738 -2.63464e-07 1.1513e-10 41021.8 27.6065 );
|
|
}
|
|
}
|
|
C7H14O__MIAK
|
|
{
|
|
specie
|
|
{
|
|
molWeight 114.189;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 15.7341 0.0405839 -1.46406e-05 2.36368e-09 -1.41348e-13 -45164.2 -53.5442 );
|
|
lowCpCoeffs ( 8.18989 0.0157448 0.000113248 -1.55104e-07 6.18208e-11 -40855.6 -3.53704 );
|
|
}
|
|
}
|
|
Mg+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 24.3115;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.50436 -9.52643e-06 7.12821e-09 -2.20779e-12 2.4315e-16 106421 4.30394 );
|
|
lowCpCoeffs ( 2.5 0 0 0 0 106422 4.32744 );
|
|
}
|
|
}
|
|
C5H8O_CYC5H8=O
|
|
{
|
|
specie
|
|
{
|
|
molWeight 84.1189;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 11.8281 0.025456 -9.23805e-06 1.50152e-09 -9.03124e-14 -29919.7 -41.0041 );
|
|
lowCpCoeffs ( 2.19957 0.0163299 8.59366e-05 -1.28809e-07 5.37998e-11 -25653.5 17.0106 );
|
|
}
|
|
}
|
|
Po2_DiPolonium
|
|
{
|
|
specie
|
|
{
|
|
molWeight 420;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.16009 0.0019963 -3.87229e-07 2.29141e-14 2.84418e-15 20831.2 14.9568 );
|
|
lowCpCoeffs ( 4.17779 0.00194669 -4.46645e-06 4.55955e-09 -1.44555e-12 20347.9 8.8583 );
|
|
}
|
|
}
|
|
Cr2O3(L)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 151.99;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 2705;
|
|
Thigh 6000;
|
|
Tcommon 2705;
|
|
highCpCoeffs ( 20.4462 0 0 0 0 -138314 -112.36 );
|
|
lowCpCoeffs 7 { 0 };
|
|
}
|
|
}
|
|
CN-
|
|
{
|
|
specie
|
|
{
|
|
molWeight 26.0184;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.09064 0.00133127 -4.84039e-07 7.96623e-11 -4.82107e-15 6349.65 5.63065 );
|
|
lowCpCoeffs ( 3.82013 -0.00248637 6.05687e-06 -4.54038e-09 1.16246e-12 6270.24 2.38695 );
|
|
}
|
|
}
|
|
HD
|
|
{
|
|
specie
|
|
{
|
|
molWeight 3.02207;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.8003 0.00115623 -3.06064e-07 4.51518e-11 -2.62839e-15 238.213 1.2307 );
|
|
lowCpCoeffs ( 3.43752 0.000617472 -1.85268e-06 2.32581e-09 -8.35141e-13 -17.7565 -2.41112 );
|
|
}
|
|
}
|
|
o-C6H5ClO_cis(Z)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 163.004;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 16.1735 0.0181756 -6.56338e-06 1.06421e-09 -6.3932e-14 -22877.2 -59.8103 );
|
|
lowCpCoeffs ( -1.07354 0.0544049 -8.68622e-06 -3.81399e-08 2.22807e-11 -17705.1 31.6421 );
|
|
}
|
|
}
|
|
C4H9O_DiEthyl_Et
|
|
{
|
|
specie
|
|
{
|
|
molWeight 73.1157;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 5500;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 13.3292 0.0228925 -8.5154e-06 1.39549e-09 -8.42278e-14 -11764.5 -41.7556 );
|
|
lowCpCoeffs ( 7.25386 -0.000750391 0.000104998 -1.35171e-07 5.26869e-11 -8118.19 -0.573033 );
|
|
}
|
|
}
|
|
C2Br6
|
|
{
|
|
specie
|
|
{
|
|
molWeight 503.428;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 19.4779 0.00236201 -9.24677e-07 1.49363e-10 -8.77276e-15 13609.7 -57.3648 );
|
|
lowCpCoeffs ( 7.9387 0.0544456 -9.44882e-05 7.78031e-08 -2.46434e-11 15808.4 -2.68266 );
|
|
}
|
|
}
|
|
HBr
|
|
{
|
|
specie
|
|
{
|
|
molWeight 80.9089;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.83372 0.00148518 -5.13137e-07 8.73711e-11 -5.72363e-15 -5176.21 7.43754 );
|
|
lowCpCoeffs ( 3.48118 0.000342734 -1.80533e-06 3.61181e-09 -1.74298e-12 -5355.37 4.01309 );
|
|
}
|
|
}
|
|
NCCH2O_Radical
|
|
{
|
|
specie
|
|
{
|
|
molWeight 56.0443;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 7.26373 0.00791027 -2.87373e-06 4.67365e-10 -2.81207e-14 18183.6 -10.8309 );
|
|
lowCpCoeffs ( 2.96392 0.0164646 -3.33503e-06 -8.15626e-09 4.80225e-12 19549.8 12.2143 );
|
|
}
|
|
}
|
|
Sn+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 118.689;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 0.909335 0.00261287 -1.00436e-06 1.54375e-10 -8.50399e-15 122054 15.5658 );
|
|
lowCpCoeffs ( 2.40922 0.000742876 -2.09254e-06 2.29144e-09 -6.87283e-13 121453 7.0763 );
|
|
}
|
|
}
|
|
CH2Cl-CH2Cl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 98.9602;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 9.68477 0.011263 -4.31577e-06 7.25209e-10 -4.45819e-14 -19952.6 -23.9965 );
|
|
lowCpCoeffs ( 4.68235 0.00393963 5.07306e-05 -7.03931e-08 2.83531e-11 -17537.2 6.96582 );
|
|
}
|
|
}
|
|
C2H2F4_1,1,1,2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 102.032;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.5551 0.00840186 -3.12077e-06 5.12285e-10 -3.1011e-14 -114846 -38.0374 );
|
|
lowCpCoeffs ( 2.2924 0.0303108 -5.33714e-06 -2.19457e-08 1.2997e-11 -111790 16.2831 );
|
|
}
|
|
}
|
|
C18H33O2_Oleatoxy
|
|
{
|
|
specie
|
|
{
|
|
molWeight 281.463;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 40.9568 0.102058 -3.70567e-05 6.02119e-09 -3.61972e-13 -68859.2 -181.687 );
|
|
lowCpCoeffs ( 21.1233 -0.00903457 0.000453236 -5.83635e-07 2.29927e-10 -55554.4 -39.7567 );
|
|
}
|
|
}
|
|
C24H20Pb__TetraP
|
|
{
|
|
specie
|
|
{
|
|
molWeight 515.617;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 49.978 0.0744738 -2.76812e-05 4.56641e-09 -2.77369e-13 57295.7 -231.96 );
|
|
lowCpCoeffs ( 8.60334 0.089059 0.000192808 -3.31491e-07 1.42081e-10 73424.2 5.44636 );
|
|
}
|
|
}
|
|
HOCO+__radical_c
|
|
{
|
|
specie
|
|
{
|
|
molWeight 45.0174;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.13248 0.00415983 -1.45507e-06 2.30692e-10 -1.36358e-14 70796.3 -1.91635 );
|
|
lowCpCoeffs ( 2.22232 0.0151446 -1.8393e-05 1.26279e-08 -3.54749e-12 71467.6 12.4216 );
|
|
}
|
|
}
|
|
D2S
|
|
{
|
|
specie
|
|
{
|
|
molWeight 36.0922;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.981 0.00299684 -1.08625e-06 1.81266e-10 -1.10816e-14 -4354.38 2.03254 );
|
|
lowCpCoeffs ( 3.9654 -0.000952689 9.60157e-06 -9.56853e-09 3.01603e-12 -4094.59 3.23907 );
|
|
}
|
|
}
|
|
C3H3_*CH(CH=CH)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 39.0574;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.27724 0.00843465 -2.98119e-06 4.7609e-10 -2.82878e-14 55962.7 -11.3351 );
|
|
lowCpCoeffs ( 2.17577 0.00816793 2.90087e-05 -4.87187e-08 2.15448e-11 57518.3 12.2736 );
|
|
}
|
|
}
|
|
C18H34O2_Oleic_ac
|
|
{
|
|
specie
|
|
{
|
|
molWeight 282.47;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 40.5506 0.103941 -3.74056e-05 6.04484e-09 -3.62102e-13 -97089.3 -180.89 );
|
|
lowCpCoeffs ( 20.4309 -0.00103559 0.000436982 -5.68622e-07 2.25013e-10 -84018.9 -38.9131 );
|
|
}
|
|
}
|
|
PF2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 68.9706;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.18129 0.000847698 -3.34107e-07 5.72689e-11 -3.57141e-15 -63785.1 -4.38601 );
|
|
lowCpCoeffs ( 2.72087 0.0124603 -1.44361e-05 6.90329e-09 -8.99811e-13 -62962.6 12.8981 );
|
|
}
|
|
}
|
|
C6H8_3-CH3-1,3C5H5
|
|
{
|
|
specie
|
|
{
|
|
molWeight 80.1307;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 11.1439 0.0251266 -9.00536e-06 1.45167e-09 -8.68188e-14 6156.85 -36.1901 );
|
|
lowCpCoeffs ( 3.15024 0.013093 8.49819e-05 -1.2378e-07 5.11852e-11 9891.8 12.9939 );
|
|
}
|
|
}
|
|
C(NO)+_cy
|
|
{
|
|
specie
|
|
{
|
|
molWeight 42.0167;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.29763 0.00171699 -6.66221e-07 1.13058e-10 -7.00253e-15 187364 -2.28307 );
|
|
lowCpCoeffs ( 2.75095 0.00728394 -2.75184e-06 -2.57902e-09 1.75042e-12 188144 11.2426 );
|
|
}
|
|
}
|
|
Ca
|
|
{
|
|
specie
|
|
{
|
|
molWeight 40.08;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 1.92708 0.00134909 -1.07516e-06 3.25458e-10 -2.64672e-14 20819.6 7.42878 );
|
|
lowCpCoeffs ( 2.5 0 0 0 0 20638.9 4.38455 );
|
|
}
|
|
}
|
|
C5H12__n-pentane
|
|
{
|
|
specie
|
|
{
|
|
molWeight 72.1514;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.65673 0.0335942 -1.19261e-05 1.90509e-09 -1.13196e-13 -23506.8 -16.9334 );
|
|
lowCpCoeffs ( 10.0498 -0.0193519 0.000147548 -1.69026e-07 6.2897e-11 -21454 -12.1225 );
|
|
}
|
|
}
|
|
C8H8__Cubane
|
|
{
|
|
specie
|
|
{
|
|
molWeight 104.153;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 15.256 0.0277223 -1.00559e-05 1.63463e-09 -9.83476e-14 65388.4 -67.9077 );
|
|
lowCpCoeffs ( -1.09586 0.0102947 0.000171031 -2.53804e-07 1.08032e-10 72325.1 30.0446 );
|
|
}
|
|
}
|
|
C4H8O2_DIOXANE
|
|
{
|
|
specie
|
|
{
|
|
molWeight 88.1072;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 10.2352 0.0267549 -9.67777e-06 1.56965e-09 -9.42737e-14 -41208.8 -32.7953 );
|
|
lowCpCoeffs ( 4.81265 -0.00385996 0.000125372 -1.60862e-07 6.33257e-11 -37571.3 6.04153 );
|
|
}
|
|
}
|
|
AlO
|
|
{
|
|
specie
|
|
{
|
|
molWeight 42.9809;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.87813 0.0019692 -3.86304e-07 7.31792e-12 2.48455e-15 7288.73 9.56557 );
|
|
lowCpCoeffs ( 3.34913 -7.30811e-05 7.10157e-06 -1.06139e-08 4.70712e-12 7057.28 6.97458 );
|
|
}
|
|
}
|
|
Mo2C(S)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 203.891;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 1400;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.63292 0.0191409 -1.95825e-05 8.67987e-09 -1.1054e-12 -7765.09 -11.7562 );
|
|
lowCpCoeffs ( 2.42024 0.0250702 -3.73749e-05 2.75982e-08 -7.948e-12 -7947.35 -11.9156 );
|
|
}
|
|
}
|
|
C3H7S_2-PropylThio
|
|
{
|
|
specie
|
|
{
|
|
molWeight 75.1532;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 10.0649 0.0176507 -6.30934e-06 1.00956e-09 -6.00306e-14 3706.77 -26.8549 );
|
|
lowCpCoeffs ( 5.44688 0.00402454 6.86371e-05 -9.30468e-08 3.72941e-11 6198.96 3.21151 );
|
|
}
|
|
}
|
|
C8H16O2_cis-acid
|
|
{
|
|
specie
|
|
{
|
|
molWeight 144.216;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 20.2284 0.0477124 -1.72762e-05 2.80114e-09 -1.68125e-13 -77243.7 -77.3264 );
|
|
lowCpCoeffs ( 9.3307 0.0080345 0.000182563 -2.43706e-07 9.7075e-11 -70942.1 -4.43159 );
|
|
}
|
|
}
|
|
SF5Br
|
|
{
|
|
specie
|
|
{
|
|
molWeight 206.957;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 16.223 0.00289255 -1.14418e-06 1.96591e-10 -1.22802e-14 -122637 -54.7517 );
|
|
lowCpCoeffs ( -1.99089 0.0829389 -0.000142157 1.15603e-07 -3.62389e-11 -119048 32.1129 );
|
|
}
|
|
}
|
|
Mo(s)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 95.94;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 2200;
|
|
Thigh 2896;
|
|
Tcommon 2200;
|
|
highCpCoeffs ( -168.014 0.265597 -0.000152662 3.86505e-08 -3.59628e-12 86443.8 972.38 );
|
|
lowCpCoeffs 7 { 0 };
|
|
}
|
|
}
|
|
C3H6O2_C2H5COOH
|
|
{
|
|
specie
|
|
{
|
|
molWeight 74.0801;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.61037 0.0187895 -6.70711e-06 1.07428e-09 -6.3887e-14 -58480.8 -16.311 );
|
|
lowCpCoeffs ( 5.51515 -1.02654e-05 7.54897e-05 -9.81745e-08 3.8883e-11 -56361.8 6.11744 );
|
|
}
|
|
}
|
|
cy-C5H5+__cycation
|
|
{
|
|
specie
|
|
{
|
|
molWeight 65.0951;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 9.70782 0.0160516 -5.71964e-06 9.18702e-10 -5.48151e-14 129003 -28.7684 );
|
|
lowCpCoeffs ( -2.20355 0.0453564 -2.43185e-05 -3.84474e-09 5.91401e-12 132458 33.6026 );
|
|
}
|
|
}
|
|
NO2-
|
|
{
|
|
specie
|
|
{
|
|
molWeight 46.006;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.05329 0.00207556 -8.70003e-07 1.61074e-10 -1.03448e-14 -24879.9 -1.54065 );
|
|
lowCpCoeffs ( 3.09784 0.00370486 5.92941e-06 -1.09497e-08 4.62722e-12 -24155.4 9.48237 );
|
|
}
|
|
}
|
|
C2HBr4_1,1,2,2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 344.634;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 14.3466 0.00459266 -1.90434e-06 3.30907e-10 -2.06741e-14 21354.3 -33.0721 );
|
|
lowCpCoeffs ( 5.74444 0.0353866 -4.56981e-05 2.94359e-08 -7.52371e-12 23381.8 9.62683 );
|
|
}
|
|
}
|
|
F2+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 37.9963;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.12652 0.000422801 -1.46592e-07 2.48898e-11 -1.54208e-15 181607 1.6093 );
|
|
lowCpCoeffs ( 3.96417 -0.000599836 4.03663e-06 -4.74261e-09 1.76772e-12 181724 2.80862 );
|
|
}
|
|
}
|
|
CF2Cl-CHClF_123a
|
|
{
|
|
specie
|
|
{
|
|
molWeight 152.931;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 15.7507 0.00520068 -1.9979e-06 3.37031e-10 -2.0796e-14 -92323.9 -49.1888 );
|
|
lowCpCoeffs ( 3.09868 0.0420666 -3.74858e-05 9.88731e-09 1.7029e-12 -89007.8 15.4717 );
|
|
}
|
|
}
|
|
COOH
|
|
{
|
|
specie
|
|
{
|
|
molWeight 45.0179;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.39206 0.00411221 -1.48195e-06 2.39875e-10 -1.43903e-14 -23860.7 -2.23529 );
|
|
lowCpCoeffs ( 2.92208 0.00762454 3.29884e-06 -1.07135e-08 5.11587e-12 -23028.2 11.2926 );
|
|
}
|
|
}
|
|
CH3COCl_Acetyl-Cl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 78.4986;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 7.35808 0.00986662 -3.53399e-06 5.69391e-10 -3.40392e-14 -32109.9 -10.8901 );
|
|
lowCpCoeffs ( 3.9884 0.0126777 7.80939e-06 -1.82292e-08 7.97984e-12 -30830 8.16676 );
|
|
}
|
|
}
|
|
Ne
|
|
{
|
|
specie
|
|
{
|
|
molWeight 20.183;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.5 0 0 0 0 -745.375 3.35532 );
|
|
lowCpCoeffs ( 2.5 0 0 0 0 -745.375 3.35532 );
|
|
}
|
|
}
|
|
HgCl2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 271.496;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 1500;
|
|
Thigh 6000;
|
|
Tcommon 1500;
|
|
highCpCoeffs ( 7.39653 8.32748e-05 -2.47105e-08 3.02996e-12 -1.23771e-16 -19801.2 15.5281 );
|
|
lowCpCoeffs 7 { 0 };
|
|
}
|
|
}
|
|
H-
|
|
{
|
|
specie
|
|
{
|
|
molWeight 1.00852;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.5 0 0 0 0 15976.2 -1.13901 );
|
|
lowCpCoeffs ( 2.5 0 0 0 0 15976.2 -1.13901 );
|
|
}
|
|
}
|
|
HCCN_singlet
|
|
{
|
|
specie
|
|
{
|
|
molWeight 39.037;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.97313 0.00356298 -1.27604e-06 2.05621e-10 -1.22949e-14 61212.1 -5.07923 );
|
|
lowCpCoeffs ( 4.62983 0.00431798 4.65185e-06 -9.03602e-09 3.88976e-12 61731.9 2.58604 );
|
|
}
|
|
}
|
|
C6H5-CH=CHCH=CH*
|
|
{
|
|
specie
|
|
{
|
|
molWeight 127.167;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 18.7723 0.0268147 -9.77388e-06 1.59056e-09 -9.56888e-14 74100.4 -69.89 );
|
|
lowCpCoeffs ( 3.37535 0.0395366 5.2416e-05 -1.05169e-07 4.71487e-11 79647.4 16.4267 );
|
|
}
|
|
}
|
|
C2H6O2_Peroxyeth
|
|
{
|
|
specie
|
|
{
|
|
molWeight 62.0689;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 9.58691 0.0148604 -5.29788e-06 8.47317e-10 -5.03436e-14 -23836.8 -22.8311 );
|
|
lowCpCoeffs ( 4.14672 0.00978668 4.91492e-05 -7.42532e-08 3.11169e-11 -21467.1 9.84025 );
|
|
}
|
|
}
|
|
COS
|
|
{
|
|
specie
|
|
{
|
|
molWeight 60.0746;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.37456 0.00210411 -7.76418e-07 1.29745e-10 -7.92408e-15 -18917.8 -3.78474 );
|
|
lowCpCoeffs ( 1.77199 0.0171487 -2.73082e-05 2.25553e-08 -7.34373e-12 -18132.9 13.681 );
|
|
}
|
|
}
|
|
C7H12__Norbornane
|
|
{
|
|
specie
|
|
{
|
|
molWeight 96.1737;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 13.9229 0.0373837 -1.36297e-05 2.22219e-09 -1.33947e-13 -14671.1 -58.5439 );
|
|
lowCpCoeffs ( 2.01387 0.000993862 0.000188682 -2.55851e-07 1.03926e-10 -8298.25 18.9637 );
|
|
}
|
|
}
|
|
Pd(cr)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 106.4;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 1827;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.54024 0.00158104 -1.29896e-06 8.80765e-10 -1.84147e-13 -758.598 -10.2418 );
|
|
lowCpCoeffs ( 2.34356 0.00480156 -1.00146e-05 9.59679e-09 -3.20834e-12 -841.117 -9.89514 );
|
|
}
|
|
}
|
|
C14H9_2-Antryl_R
|
|
{
|
|
specie
|
|
{
|
|
molWeight 177.228;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 26.9316 0.0375576 -1.44888e-05 2.57013e-09 -1.72095e-13 44757.5 -122.093 );
|
|
lowCpCoeffs ( -10.769 0.141756 -0.00011498 3.62392e-08 0 55404.4 72.9989 );
|
|
}
|
|
}
|
|
SbCl3
|
|
{
|
|
specie
|
|
{
|
|
molWeight 228.109;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 9.72982 0.000286438 -1.14493e-07 1.98079e-11 -1.2432e-15 -40664 -14.649 );
|
|
lowCpCoeffs ( 5.51759 0.0244778 -5.31508e-05 5.13626e-08 -1.82868e-11 -40047.2 4.23196 );
|
|
}
|
|
}
|
|
C4H9O2_s-Butyl_P
|
|
{
|
|
specie
|
|
{
|
|
molWeight 89.1151;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 13.205 0.0248733 -9.02932e-06 1.46076e-09 -8.74287e-14 -16496.6 -39.6133 );
|
|
lowCpCoeffs ( 6.28258 0.00926839 8.83567e-05 -1.23824e-07 5.03388e-11 -12997.7 4.27237 );
|
|
}
|
|
}
|
|
C4H10O_DEE_DiEth
|
|
{
|
|
specie
|
|
{
|
|
molWeight 74.1237;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.1149 0.0268657 -1.00091e-05 1.6482e-09 -9.99139e-14 -37109.8 -38.9453 );
|
|
lowCpCoeffs ( 7.80074 -0.0119289 0.000138604 -1.6741e-07 6.34538e-11 -33382.3 -4.1921 );
|
|
}
|
|
}
|
|
SiS2__Liquid
|
|
{
|
|
specie
|
|
{
|
|
molWeight 92.214;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 1363;
|
|
Thigh 1500;
|
|
Tcommon 1363;
|
|
highCpCoeffs ( 12.0789 -2.42499e-06 8.45243e-10 0 0 -30427.1 -61.783 );
|
|
lowCpCoeffs 7 { 0 };
|
|
}
|
|
}
|
|
C6H7__C5H5-3-CH2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 79.1227;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 13.1181 0.0210247 -7.6066e-06 1.23389e-09 -7.41145e-14 23570.1 -45.1868 );
|
|
lowCpCoeffs ( -0.0465378 0.0396188 2.21522e-05 -6.60054e-08 3.19768e-11 27917.7 26.6778 );
|
|
}
|
|
}
|
|
CO2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 44.01;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.63651 0.00274146 -9.95898e-07 1.60387e-10 -9.16199e-15 -49024.9 -1.9349 );
|
|
lowCpCoeffs ( 2.35681 0.00898413 -7.12206e-06 2.4573e-09 -1.42885e-13 -48372 9.9009 );
|
|
}
|
|
}
|
|
C5H4_TETRAENE
|
|
{
|
|
specie
|
|
{
|
|
molWeight 64.0876;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 9.7221 0.0134136 -4.77703e-06 7.66674e-10 -4.57076e-14 49374.4 -26.0459 );
|
|
lowCpCoeffs ( 1.80278 0.0360967 -2.72178e-05 7.91927e-09 4.78651e-13 51539.4 14.6808 );
|
|
}
|
|
}
|
|
s-1-C10H7-CH3
|
|
{
|
|
specie
|
|
{
|
|
molWeight 142.202;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 21.7939 0.0360214 -1.33229e-05 2.19304e-09 -1.33071e-13 3162.61 -94.8675 );
|
|
lowCpCoeffs ( -1.03044 0.0603358 5.45656e-05 -1.22769e-07 5.54507e-11 11324.1 32.2971 );
|
|
}
|
|
}
|
|
C3H7S_PropylThiol
|
|
{
|
|
specie
|
|
{
|
|
molWeight 75.1532;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 9.44634 0.0181967 -6.5609e-06 1.05822e-09 -6.32705e-14 4614.01 -22.0499 );
|
|
lowCpCoeffs ( 4.99141 0.00715731 5.95887e-05 -8.37611e-08 3.41008e-11 6910.79 6.4203 );
|
|
}
|
|
}
|
|
C2H6O2_1,2-diOl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 62.0689;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 7.91472 0.0158415 -5.53487e-06 8.73347e-10 -5.14004e-14 -50603.7 -12.3697 );
|
|
lowCpCoeffs ( 6.12883 -0.00772943 8.65891e-05 -1.09212e-07 4.32668e-11 -48882.6 3.3413 );
|
|
}
|
|
}
|
|
Sb________GAS
|
|
{
|
|
specie
|
|
{
|
|
molWeight 121.75;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 2000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.42087 0.000348363 -4.87493e-07 2.56073e-10 -3.56863e-14 31083.3 7.80249 );
|
|
lowCpCoeffs ( 2.48973 7.79284e-05 -2.04107e-07 2.17573e-10 -7.89983e-14 31073.5 7.47922 );
|
|
}
|
|
}
|
|
C12H8O_DiBenzoFu
|
|
{
|
|
specie
|
|
{
|
|
molWeight 168.197;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 23.8921 0.0342248 -1.25919e-05 2.06598e-09 -1.25092e-13 -4812.78 -107.324 );
|
|
lowCpCoeffs ( -1.94561 0.0663036 5.5584e-05 -1.35442e-07 6.29654e-11 4018.94 35.053 );
|
|
}
|
|
}
|
|
C2N2+__NC-CN+__H
|
|
{
|
|
specie
|
|
{
|
|
molWeight 52.0352;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.89744 0.00341975 -1.27933e-06 2.12073e-10 -1.29278e-14 190828 -10.7662 );
|
|
lowCpCoeffs ( 3.64279 0.0160593 -2.27952e-05 1.82538e-08 -5.92363e-12 191607 5.29831 );
|
|
}
|
|
}
|
|
CH3OH(L)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 32.0424;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 175.61;
|
|
Thigh 390;
|
|
Tcommon 390;
|
|
highCpCoeffs 7 { 0 };
|
|
lowCpCoeffs ( 12.1755 -0.0419674 0.0001424 -1.61e-07 2.14795e-10 -31478.5 -46.8827 );
|
|
}
|
|
}
|
|
KNO3(L)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 101.107;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 607.7;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 16.9584 0 0 0 0 -61649.9 -80.1839 );
|
|
lowCpCoeffs ( 16.9584 0 0 0 0 -61649.9 -80.1839 );
|
|
}
|
|
}
|
|
s-1,2-C2H2F2-trans
|
|
{
|
|
specie
|
|
{
|
|
molWeight 64.035;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 7.73659 0.0074681 -2.71233e-06 4.41228e-10 -2.65588e-14 -39677.9 -15.2286 );
|
|
lowCpCoeffs ( 2.82321 0.0139737 8.7918e-06 -2.39558e-08 1.12741e-11 -38013 11.7613 );
|
|
}
|
|
}
|
|
C5H8N4O12_PETN
|
|
{
|
|
specie
|
|
{
|
|
molWeight 316.139;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 42.035 0.0416412 -1.62924e-05 2.75857e-09 -1.70123e-13 -64834.2 -186.444 );
|
|
lowCpCoeffs ( 10.1316 0.074382 7.88205e-05 -1.68073e-07 7.47115e-11 -53273.8 -8.13693 );
|
|
}
|
|
}
|
|
N-NITRO-AZETIDIN
|
|
{
|
|
specie
|
|
{
|
|
molWeight 102.093;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.8386 0.0227541 -8.59767e-06 1.42856e-09 -8.70663e-14 7355.48 -43.62 );
|
|
lowCpCoeffs ( 4.36364 0.00773076 9.68585e-05 -1.36308e-07 5.56914e-11 11468.5 9.18578 );
|
|
}
|
|
}
|
|
PF3
|
|
{
|
|
specie
|
|
{
|
|
molWeight 87.969;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.55952 0.00149222 -5.88317e-07 1.00865e-10 -6.29113e-15 -118099 -17.1474 );
|
|
lowCpCoeffs ( 1.77191 0.0270032 -3.81069e-05 2.54541e-08 -6.56422e-12 -116587 16.1765 );
|
|
}
|
|
}
|
|
H2PO__HPOH
|
|
{
|
|
specie
|
|
{
|
|
molWeight 48.9891;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.9232 0.00320816 -1.16291e-06 1.89204e-10 -1.13985e-14 -14504.5 -4.42324 );
|
|
lowCpCoeffs ( 2.73904 0.00758978 6.74888e-06 -1.70992e-08 8.1678e-12 -13462.2 12.9526 );
|
|
}
|
|
}
|
|
Ni(cr)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 58.71;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 1728;
|
|
Thigh 6000;
|
|
Tcommon 1728;
|
|
highCpCoeffs ( 4.67989 0 0 0 0 -314.678 -23.3343 );
|
|
lowCpCoeffs 7 { 0 };
|
|
}
|
|
}
|
|
C4H10O_n-butanol
|
|
{
|
|
specie
|
|
{
|
|
molWeight 74.1237;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 11.4454 0.0262487 -9.53749e-06 1.54603e-09 -9.27155e-14 -38973.3 -32.0184 );
|
|
lowCpCoeffs ( 5.25535 0.00839981 9.32469e-05 -1.31427e-07 5.41345e-11 -35722.6 7.96502 );
|
|
}
|
|
}
|
|
H2O2+__trans
|
|
{
|
|
specie
|
|
{
|
|
molWeight 34.0142;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.57089 0.00488185 -1.66241e-06 2.58528e-10 -1.50671e-14 106306 7.369 );
|
|
lowCpCoeffs ( 4.63119 -0.00417241 2.01315e-05 -2.08221e-08 7.2656e-12 106322 3.4087 );
|
|
}
|
|
}
|
|
C5H5OH_Cyclo-2,4
|
|
{
|
|
specie
|
|
{
|
|
molWeight 82.103;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 11.6115 0.0191901 -6.83602e-06 1.09795e-09 -6.55126e-14 -5694.52 -36.8452 );
|
|
lowCpCoeffs ( 2.28106 0.0172606 6.60493e-05 -1.06482e-07 4.58889e-11 -1990.35 17.4655 );
|
|
}
|
|
}
|
|
s-1,4-C6H4_BENZYNE
|
|
{
|
|
specie
|
|
{
|
|
molWeight 76.0988;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 11.8962 0.0143787 -5.18375e-06 8.39305e-10 -5.03613e-14 63798.1 -40.5006 );
|
|
lowCpCoeffs ( -0.578997 0.0395315 -1.83313e-06 -3.45973e-08 1.9358e-11 67557.5 25.8068 );
|
|
}
|
|
}
|
|
C2H5O-__CH3C*HOH-
|
|
{
|
|
specie
|
|
{
|
|
molWeight 45.0621;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.84196 0.012335 -4.37118e-06 6.99225e-10 -4.15909e-14 -7748.97 -9.52238 );
|
|
lowCpCoeffs ( 2.73686 0.0206277 -7.16876e-06 -3.02068e-09 2.28832e-12 -6393.69 12.5982 );
|
|
}
|
|
}
|
|
C12H4Cl6O2__tric
|
|
{
|
|
specie
|
|
{
|
|
molWeight 392.882;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 41.4556 0.0249089 -9.27109e-06 1.5332e-09 -9.33552e-14 -40386.1 -174.31 );
|
|
lowCpCoeffs ( 3.28452 0.141319 -0.000138658 5.99059e-08 -7.31751e-12 -30439.2 19.9985 );
|
|
}
|
|
}
|
|
COCl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 63.4636;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.4611 0.00153417 -6.06549e-07 1.06932e-10 -6.7299e-15 -3713.25 0.214141 );
|
|
lowCpCoeffs ( 3.44772 0.0113354 -2.1229e-05 2.03469e-08 -7.41213e-12 -3305.26 9.73675 );
|
|
}
|
|
}
|
|
C6H8O5(NO2)2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 252.139;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 450.435 -0.665621 0.00033678 -6.71657e-08 4.63781e-12 -271218 -2489.44 );
|
|
lowCpCoeffs ( 3.86997 0.0854861 2.38648e-05 -1.06426e-07 5.22711e-11 -95613 1.84688 );
|
|
}
|
|
}
|
|
C2D6N2_Azomethan
|
|
{
|
|
specie
|
|
{
|
|
molWeight 64.1203;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 13.7217 0.0134336 -5.1094e-06 8.56195e-10 -5.25857e-14 8273.41 -49.5774 );
|
|
lowCpCoeffs ( 2.8902 0.0196281 4.62714e-05 -8.1412e-08 3.54717e-11 12342.9 11.9007 );
|
|
}
|
|
}
|
|
CBr2F2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 209.81;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 10.9383 0.00212038 -8.32403e-07 1.42325e-10 -8.86069e-15 -50004.9 -24.7518 );
|
|
lowCpCoeffs ( 2.86774 0.033279 -4.96373e-05 3.65111e-08 -1.06608e-11 -48207.2 14.7814 );
|
|
}
|
|
}
|
|
Zr(L)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 91.22;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 2125;
|
|
Thigh 6000;
|
|
Tcommon 2125;
|
|
highCpCoeffs ( 5.03217 0 0 0 0 -1100.85 -25.4798 );
|
|
lowCpCoeffs 7 { 0 };
|
|
}
|
|
}
|
|
C4H7O2_Peroxy_Rad
|
|
{
|
|
specie
|
|
{
|
|
molWeight 87.0992;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 11.9564 0.0212302 -7.58496e-06 1.21288e-09 -7.2035e-14 1749.46 -31.8284 );
|
|
lowCpCoeffs ( 5.17587 0.0158941 5.55944e-05 -8.59248e-08 3.60029e-11 4707.68 8.78331 );
|
|
}
|
|
}
|
|
C10H9+_protonazule
|
|
{
|
|
specie
|
|
{
|
|
molWeight 129.183;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 17.6762 0.0335488 -1.21429e-05 1.97093e-09 -1.18454e-13 97966.9 -72.7625 );
|
|
lowCpCoeffs ( -5.19885 0.0815347 -2.5175e-05 -2.81978e-08 1.79715e-11 105117 49.3169 );
|
|
}
|
|
}
|
|
GeBr4
|
|
{
|
|
specie
|
|
{
|
|
molWeight 392.194;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.6994 0.000318892 -1.27502e-07 2.20626e-11 -1.38489e-15 -38864.3 -24.9634 );
|
|
lowCpCoeffs ( 7.8792 0.0282173 -6.16193e-05 5.97669e-08 -2.13326e-11 -38166 -3.40154 );
|
|
}
|
|
}
|
|
C2H6+_Ethane_cat
|
|
{
|
|
specie
|
|
{
|
|
molWeight 30.0696;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.57741 0.0136168 -4.76087e-06 7.54223e-10 -4.45456e-14 121958 -7.83715 );
|
|
lowCpCoeffs ( 0.62538 0.0271003 -1.74238e-05 4.60103e-09 2.40086e-13 123371 17.8648 );
|
|
}
|
|
}
|
|
C9H12__1-2-4-TMB
|
|
{
|
|
specie
|
|
{
|
|
molWeight 120.196;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 17.1329 0.0394084 -1.52209e-05 2.72758e-09 -1.84838e-13 -10747 -66.2588 );
|
|
lowCpCoeffs ( 5.36105 0.0274614 9.27108e-05 -1.37607e-07 5.56797e-11 -5068.13 5.85157 );
|
|
}
|
|
}
|
|
ZrO2(II)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 123.219;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 1445;
|
|
Thigh 2620;
|
|
Tcommon 1445;
|
|
highCpCoeffs ( 9.39322 0 0 0 0 -134811 -48.2324 );
|
|
lowCpCoeffs 7 { 0 };
|
|
}
|
|
}
|
|
CH2CN_Radical
|
|
{
|
|
specie
|
|
{
|
|
molWeight 40.0449;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.14874 0.006066 -2.17175e-06 3.4975e-10 -2.09004e-14 28649.1 -6.59236 );
|
|
lowCpCoeffs ( 2.63064 0.0173644 -1.70284e-05 9.86551e-09 -2.46034e-12 29579.2 11.2776 );
|
|
}
|
|
}
|
|
CH2N__H*C=NH_Trans
|
|
{
|
|
specie
|
|
{
|
|
molWeight 28.0338;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.04015 0.00516592 -1.82277e-06 2.90299e-10 -1.71615e-14 31154 2.58894 );
|
|
lowCpCoeffs ( 3.97115 -0.00388876 2.92919e-05 -3.57482e-08 1.40304e-11 31578.9 5.06389 );
|
|
}
|
|
}
|
|
P4O7
|
|
{
|
|
specie
|
|
{
|
|
molWeight 235.891;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 24.9582 0.00623802 -2.45477e-06 4.20381e-10 -2.62003e-14 -247682 -101.385 );
|
|
lowCpCoeffs ( -4.26427 0.125348 -0.000198096 1.514e-07 -4.52521e-11 -241500 40.1672 );
|
|
}
|
|
}
|
|
C5H5O__1-oxy-1,4-
|
|
{
|
|
specie
|
|
{
|
|
molWeight 81.095;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 11.4306 0.0175353 -6.33385e-06 1.02663e-09 -6.16411e-14 3359.74 -36.2255 );
|
|
lowCpCoeffs ( 0.994952 0.0257061 3.87828e-05 -7.61409e-08 3.42541e-11 7099.87 22.276 );
|
|
}
|
|
}
|
|
C6H12O2_MeValere
|
|
{
|
|
specie
|
|
{
|
|
molWeight 116.161;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 15.8378 0.0359717 -1.32768e-05 2.17509e-09 -1.31371e-13 -62146.6 -51.6853 );
|
|
lowCpCoeffs ( 9.9401 -0.00194238 0.000143059 -1.79758e-07 6.92779e-11 -57802.3 -7.90692 );
|
|
}
|
|
}
|
|
C7H8_Quadricyclen
|
|
{
|
|
specie
|
|
{
|
|
molWeight 92.1418;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 13.5969 0.0261808 -9.41882e-06 1.52265e-09 -9.12588e-14 33365.2 -54.9087 );
|
|
lowCpCoeffs ( -0.559834 0.0142094 0.000136122 -2.06102e-07 8.81203e-11 39257.7 29.2385 );
|
|
}
|
|
}
|
|
C2H5I
|
|
{
|
|
specie
|
|
{
|
|
molWeight 155.967;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 7.97462 0.012855 -4.59993e-06 7.40451e-10 -4.42307e-14 -4378.27 -14.5973 );
|
|
lowCpCoeffs ( 2.63041 0.0189595 1.17451e-05 -3.10554e-08 1.46463e-11 -2523.81 14.9681 );
|
|
}
|
|
}
|
|
CH3OH_Metanol
|
|
{
|
|
specie
|
|
{
|
|
molWeight 32.0424;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.52727 0.0103179 -3.62893e-06 5.77448e-10 -3.42183e-14 -26002.9 5.16759 );
|
|
lowCpCoeffs ( 5.65851 -0.0162983 6.91938e-05 -7.58373e-08 2.80428e-11 -25612 -0.897331 );
|
|
}
|
|
}
|
|
S+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 32.0635;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.46525 0.000114246 -1.19566e-07 4.38759e-11 -3.80515e-15 153510 5.60818 );
|
|
lowCpCoeffs ( 2.5 0 0 0 0 153503 5.43627 );
|
|
}
|
|
}
|
|
C4H10_isobutane
|
|
{
|
|
specie
|
|
{
|
|
molWeight 58.1243;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 9.76992 0.0254997 -9.14143e-06 1.47328e-09 -8.808e-14 -21405.3 -30.033 );
|
|
lowCpCoeffs ( 4.45479 0.00826059 8.29886e-05 -1.14648e-07 4.6457e-11 -18459.4 4.92741 );
|
|
}
|
|
}
|
|
C12H5Cl5O2_PD
|
|
{
|
|
specie
|
|
{
|
|
molWeight 358.437;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 39.3301 0.0259458 -9.5502e-06 1.56834e-09 -9.50504e-14 -47428.5 -168.151 );
|
|
lowCpCoeffs ( 0.848845 0.144017 -0.000141332 6.10017e-08 -7.33609e-12 -37465.6 27.4873 );
|
|
}
|
|
}
|
|
C16H30O2_acid
|
|
{
|
|
specie
|
|
{
|
|
molWeight 254.416;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 36.4145 0.0921016 -3.32391e-05 5.37985e-09 -3.22565e-13 -89986.5 -160.518 );
|
|
lowCpCoeffs ( 17.6604 0.00717025 0.000364782 -4.7909e-07 1.89811e-10 -78349.8 -31.0926 );
|
|
}
|
|
}
|
|
MgH2(L)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 26.3279;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 600;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 9.02038 0 0 0 0 -11353.4 -47.7779 );
|
|
lowCpCoeffs ( 9.02038 0 0 0 0 -11353.4 -47.7779 );
|
|
}
|
|
}
|
|
C3H4Cl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 75.5183;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.99997 0.0108935 -3.85999e-06 6.13699e-10 -3.62944e-14 26336.7 -19.2754 );
|
|
lowCpCoeffs ( 2.84325 0.0188014 1.44432e-05 -3.74591e-08 1.79822e-11 28352.9 14.3806 );
|
|
}
|
|
}
|
|
C3F6__CF2=CF-CF3
|
|
{
|
|
specie
|
|
{
|
|
molWeight 150.024;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 18.7296 0.00574055 -2.31302e-06 4.01018e-10 -2.51742e-14 -146124 -65.9854 );
|
|
lowCpCoeffs ( 2.35781 0.0580498 -6.67558e-05 3.6811e-08 -7.9299e-12 -141947 16.8586 );
|
|
}
|
|
}
|
|
s-(NH2)2C=N-NO2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 104.069;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 15.9838 0.0123303 -4.56952e-06 7.51185e-10 -4.55e-14 -797.938 -55.6641 );
|
|
lowCpCoeffs ( -0.573278 0.0568402 -4.15607e-05 5.46018e-09 4.28389e-12 3791.46 30.0417 );
|
|
}
|
|
}
|
|
C3H3O_*CH2-CH=CO
|
|
{
|
|
specie
|
|
{
|
|
molWeight 55.0568;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 7.69322 0.00937929 -3.31476e-06 5.29226e-10 -3.14361e-14 8155.9 -12.1012 );
|
|
lowCpCoeffs ( 3.1364 0.0199891 -7.99295e-06 -4.77227e-09 3.89528e-12 9507.26 11.891 );
|
|
}
|
|
}
|
|
CNN
|
|
{
|
|
specie
|
|
{
|
|
molWeight 40.0246;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.72167 0.0018042 -7.05032e-07 1.20229e-10 -7.39252e-15 66957.5 -5.69346 );
|
|
lowCpCoeffs ( 3.07913 0.00894074 -7.89902e-06 3.51607e-09 -7.03248e-13 67719.9 8.06302 );
|
|
}
|
|
}
|
|
C2H3F2_Radical
|
|
{
|
|
specie
|
|
{
|
|
molWeight 65.043;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 7.91547 0.0095795 -3.47977e-06 5.65937e-10 -3.40536e-14 -39692.4 -14.3834 );
|
|
lowCpCoeffs ( 3.32324 0.0161809 3.41102e-06 -1.58936e-08 7.52558e-12 -38094.9 10.8884 );
|
|
}
|
|
}
|
|
C2D2_Acetylene-D
|
|
{
|
|
specie
|
|
{
|
|
molWeight 28.0505;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.43109 0.00461451 -1.68087e-06 2.73749e-10 -1.64839e-14 24826.1 -7.45455 );
|
|
lowCpCoeffs ( 0.769115 0.0302647 -5.82301e-05 5.58803e-08 -2.0062e-11 25620.2 13.8496 );
|
|
}
|
|
}
|
|
Br-
|
|
{
|
|
specie
|
|
{
|
|
molWeight 79.9014;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.5 0 0 0 0 -27069.7 5.41956 );
|
|
lowCpCoeffs ( 2.5 0 0 0 0 -27069.7 5.41956 );
|
|
}
|
|
}
|
|
MgSO4(I)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 120.374;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 1283;
|
|
Thigh 1410;
|
|
Tcommon 1283;
|
|
highCpCoeffs ( 18.6421 0 0 0 0 -162291 -99.4003 );
|
|
lowCpCoeffs 7 { 0 };
|
|
}
|
|
}
|
|
C2HFCl2_equilibr
|
|
{
|
|
specie
|
|
{
|
|
molWeight 114.935;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 10.9692 0.00473572 -1.76548e-06 2.92239e-10 -1.78047e-14 -24319.3 -26.6541 );
|
|
lowCpCoeffs ( 2.45417 0.0309044 -2.99537e-05 1.12271e-08 -4.18205e-13 -22146.2 16.5458 );
|
|
}
|
|
}
|
|
NiS(a)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 90.774;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 652;
|
|
Thigh 1249;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.69808 0.00201114 1.23027e-06 -3.56072e-10 0 -11162.1 -19.5665 );
|
|
lowCpCoeffs ( 4.96907 -0.000449498 6.90627e-06 -5.44119e-09 1.59877e-12 -11143.2 -20.5204 );
|
|
}
|
|
}
|
|
H3PO4(L)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 97.9953;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 315.5;
|
|
Thigh 1000;
|
|
Tcommon 1000;
|
|
highCpCoeffs 7 { 0 };
|
|
lowCpCoeffs ( 6.65046 0.0361771 1.28914e-07 -1.29178e-10 4.67686e-14 -156550 -30.5483 );
|
|
}
|
|
}
|
|
Na2O(b)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 61.979;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 1023;
|
|
Thigh 1243;
|
|
Tcommon 1023;
|
|
highCpCoeffs ( 12.0272 0 0 0 0 -54859 -62.3538 );
|
|
lowCpCoeffs 7 { 0 };
|
|
}
|
|
}
|
|
CH3C(O)O-ONO2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 121.05;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 15.5408 0.0140049 -5.36495e-06 8.99942e-10 -5.52251e-14 -37009.7 -50.1762 );
|
|
lowCpCoeffs ( 4.2449 0.0367553 -8.51527e-06 -1.82736e-08 1.08142e-11 -33419.3 10.352 );
|
|
}
|
|
}
|
|
C3H3Cl_1-Cl-1Prop
|
|
{
|
|
specie
|
|
{
|
|
molWeight 74.5104;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 7.44951 0.010212 -3.65217e-06 5.87697e-10 -3.50987e-14 19173.3 -12.0833 );
|
|
lowCpCoeffs ( 4.6233 0.0134961 1.78125e-06 -9.69194e-09 4.3532e-12 20238.6 3.7681 );
|
|
}
|
|
}
|
|
C2H
|
|
{
|
|
specie
|
|
{
|
|
molWeight 25.0303;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.6627 0.00382492 -1.36633e-06 2.13455e-10 -1.23217e-14 67168.4 3.92206 );
|
|
lowCpCoeffs ( 2.89868 0.0132988 -2.80733e-05 2.89485e-08 -1.07502e-11 67061.6 6.18548 );
|
|
}
|
|
}
|
|
ZnSO4(ap)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 161.432;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 540;
|
|
Thigh 1013;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 15.9277 0.0011516 0 0 0 -122619 -78.1072 );
|
|
lowCpCoeffs ( 16.0863 -0.000148907 2.09559e-06 -1.11418e-09 1.60484e-13 -122580 -78.6189 );
|
|
}
|
|
}
|
|
CH3NO2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 61.0406;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.73035 0.0109601 -4.05358e-06 6.67102e-10 -4.04687e-14 -12914.3 -10.1801 );
|
|
lowCpCoeffs ( 3.54054 0.0018656 4.44947e-05 -5.87057e-08 2.30684e-11 -11138.6 10.6885 );
|
|
}
|
|
}
|
|
NH2OH__cis
|
|
{
|
|
specie
|
|
{
|
|
molWeight 33.03;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.00744 0.0073231 -2.47603e-06 3.83254e-10 -2.2265e-14 -4742.92 2.73459 );
|
|
lowCpCoeffs ( 3.93981 -0.0017798 2.86749e-05 -3.54485e-08 1.38291e-11 -4319.82 5.21025 );
|
|
}
|
|
}
|
|
HgBr2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 360.392;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 7.40216 0.000103881 -4.15586e-08 7.19399e-12 -4.51694e-16 -13214 -3.74284 );
|
|
lowCpCoeffs ( 5.74772 0.00981241 -2.16407e-05 2.11237e-08 -7.57193e-12 -12979 3.63071 );
|
|
}
|
|
}
|
|
C4H7OOH__Peroxyb
|
|
{
|
|
specie
|
|
{
|
|
molWeight 88.1072;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.3449 0.0232241 -8.22713e-06 1.31256e-09 -7.78988e-14 -14988.3 -35.8515 );
|
|
lowCpCoeffs ( 5.27333 0.0157485 6.47366e-05 -9.82552e-08 4.10733e-11 -11838.5 6.89255 );
|
|
}
|
|
}
|
|
C18H36O2_etPalmita
|
|
{
|
|
specie
|
|
{
|
|
molWeight 284.486;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 41.6043 0.108971 -4.24947e-05 7.58131e-09 -5.0823e-13 -109908 -177.421 );
|
|
lowCpCoeffs ( 0.607765 0.187616 -4.8932e-05 -5.75354e-08 3.32268e-11 -96555.9 43.5519 );
|
|
}
|
|
}
|
|
COFCl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 82.462;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 7.36494 0.0026271 -1.01273e-06 1.71176e-10 -1.05745e-14 -52270.9 -10.2064 );
|
|
lowCpCoeffs ( 1.75554 0.0223376 -2.90814e-05 1.93455e-08 -5.2173e-12 -50912.8 17.776 );
|
|
}
|
|
}
|
|
NHD
|
|
{
|
|
specie
|
|
{
|
|
molWeight 17.0288;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.99345 0.00320175 -1.05832e-06 1.69569e-10 -1.03557e-14 20405.5 6.78902 );
|
|
lowCpCoeffs ( 4.24787 -0.00274853 9.03939e-06 -7.3677e-09 2.12507e-12 20217.6 1.00378 );
|
|
}
|
|
}
|
|
C12H23O2__1,12
|
|
{
|
|
specie
|
|
{
|
|
molWeight 199.316;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 31.7283 0.0657676 -2.47588e-05 4.36738e-09 -2.92802e-13 -52180.6 -123.816 );
|
|
lowCpCoeffs ( 2.72034 0.126725 -5.65613e-05 -6.33059e-09 9.83999e-12 -42402.4 32.4602 );
|
|
}
|
|
}
|
|
CH3SnH3
|
|
{
|
|
specie
|
|
{
|
|
molWeight 136.749;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.60499 0.0118187 -4.32757e-06 7.07532e-10 -4.2728e-14 10518.3 -19.509 );
|
|
lowCpCoeffs ( 1.58462 0.0306017 -2.34106e-05 9.64971e-09 -1.66455e-12 12597 17.1692 );
|
|
}
|
|
}
|
|
C5H9_2-en-5yl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 69.1275;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 10.9473 0.0240008 -8.50242e-06 1.35543e-09 -8.03514e-14 15804.1 -28.2498 );
|
|
lowCpCoeffs ( 4.24938 0.0267856 2.60883e-05 -5.2468e-08 2.30655e-11 18406.1 10.0925 );
|
|
}
|
|
}
|
|
C6H6+_Benzene_ion
|
|
{
|
|
specie
|
|
{
|
|
molWeight 78.1142;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 11.324 0.0200455 -7.17705e-06 1.15648e-09 -6.9155e-14 112648 -38.6873 );
|
|
lowCpCoeffs ( -2.36188 0.050756 -2.00023e-05 -1.27434e-08 9.63134e-12 116788 33.7617 );
|
|
}
|
|
}
|
|
BrCN
|
|
{
|
|
specie
|
|
{
|
|
molWeight 105.919;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.5703 0.00180282 -6.67773e-07 1.09983e-10 -6.67484e-15 19914.1 -2.84827 );
|
|
lowCpCoeffs ( 1.81829 0.0225608 -4.57548e-05 4.37202e-08 -1.55358e-11 20519.4 14.2008 );
|
|
}
|
|
}
|
|
C2HClF2_trans
|
|
{
|
|
specie
|
|
{
|
|
molWeight 98.4801;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 10.8488 0.00483113 -1.79774e-06 2.97275e-10 -1.81003e-14 -42888.2 -28.0545 );
|
|
lowCpCoeffs ( 1.50014 0.0348642 -3.70445e-05 1.71554e-08 -2.31385e-12 -40562.5 19.0688 );
|
|
}
|
|
}
|
|
SF
|
|
{
|
|
specie
|
|
{
|
|
molWeight 51.0624;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.40451 0.000133206 -3.0697e-08 1.05711e-11 -1.2442e-15 506.376 1.88292 );
|
|
lowCpCoeffs ( 3.08311 0.00709561 -1.45168e-05 1.36023e-08 -4.74787e-12 726.672 7.94757 );
|
|
}
|
|
}
|
|
HgO(cr)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 216.589;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 1000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.66312 0.0123337 -1.42673e-05 8.6951e-09 -2.2789e-12 -12150.8 -9.83504 );
|
|
lowCpCoeffs ( 1.84943 0.0196687 -3.52177e-05 2.70297e-08 0 -12087.2 -6.62351 );
|
|
}
|
|
}
|
|
C8H7___i-styryl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 103.145;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 16.1678 0.023487 -8.45465e-06 1.36664e-09 -8.19389e-14 36735.7 -59.8456 );
|
|
lowCpCoeffs ( 0.595576 0.0431716 3.39695e-05 -8.55153e-08 4.02635e-11 41975.6 25.7012 );
|
|
}
|
|
}
|
|
GeCl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 108.043;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.17763 -0.00046604 1.42198e-07 -1.0539e-11 6.01747e-17 6699.36 0.00574624 );
|
|
lowCpCoeffs ( 2.72445 0.00895175 -1.25463e-05 6.75349e-09 -1.04008e-12 7190.16 11.8835 );
|
|
}
|
|
}
|
|
CHClF2__HCFC-22
|
|
{
|
|
specie
|
|
{
|
|
molWeight 86.4689;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 7.76128 0.00491347 -1.82716e-06 3.01909e-10 -1.83697e-14 -61083.4 -12.972 );
|
|
lowCpCoeffs ( 2.58816 0.0148448 1.50137e-07 -1.39371e-08 7.4851e-12 -59475.9 14.7132 );
|
|
}
|
|
}
|
|
O2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 31.9988;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.66096 0.000656366 -1.4115e-07 2.05798e-11 -1.29913e-15 -1215.98 3.41536 );
|
|
lowCpCoeffs ( 3.78246 -0.00299673 9.8473e-06 -9.6813e-09 3.24373e-12 -1063.94 3.65768 );
|
|
}
|
|
}
|
|
S2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 64.128;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.8325 0.000888971 -2.59081e-07 3.63847e-11 -1.72606e-15 14283.6 5.33001 );
|
|
lowCpCoeffs ( 2.87737 0.00500301 -6.04371e-06 3.04739e-09 -3.87018e-13 14434.2 9.79874 );
|
|
}
|
|
}
|
|
C7H10__Norbornene
|
|
{
|
|
specie
|
|
{
|
|
molWeight 94.1578;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.8864 0.0321706 -1.15722e-05 1.87019e-09 -1.12053e-13 2309.89 -50.6062 );
|
|
lowCpCoeffs ( 0.886065 0.0103178 0.000146639 -2.09776e-07 8.7176e-11 7953.43 23.7628 );
|
|
}
|
|
}
|
|
CHF__triplet
|
|
{
|
|
specie
|
|
{
|
|
molWeight 32.0175;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.93937 0.00266015 -9.40688e-07 1.5022e-10 -8.92346e-15 23915.3 4.37266 );
|
|
lowCpCoeffs ( 4.29758 -0.00482475 2.17435e-05 -2.49407e-08 9.52451e-12 24104.2 4.02127 );
|
|
}
|
|
}
|
|
CH2O+__CH**-OH
|
|
{
|
|
specie
|
|
{
|
|
molWeight 30.0259;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.8291 0.00524489 -1.82687e-06 2.8872e-10 -1.7025e-14 115709 3.91708 );
|
|
lowCpCoeffs ( 2.84893 0.00472869 5.63743e-06 -9.60903e-09 3.91279e-12 116147 9.78868 );
|
|
}
|
|
}
|
|
Si(L)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 28.086;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 1690;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.27139 0 0 0 0 4882.67 -13.2661 );
|
|
lowCpCoeffs 7 { 0 };
|
|
}
|
|
}
|
|
FO2____F-O-O
|
|
{
|
|
specie
|
|
{
|
|
molWeight 50.9972;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.04302 0.000692268 -1.41442e-07 1.67666e-11 -1.0213e-15 1035.57 -3.85062 );
|
|
lowCpCoeffs ( 3.13625 0.0116477 -1.82584e-05 1.50964e-08 -5.01239e-12 1735.97 10.558 );
|
|
}
|
|
}
|
|
C4H8__Isobuten
|
|
{
|
|
specie
|
|
{
|
|
molWeight 56.1084;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.94232 0.02129 -7.61851e-06 1.22641e-09 -7.32634e-14 -6672.93 -24.6775 );
|
|
lowCpCoeffs ( 3.30612 0.0133377 5.65726e-05 -8.46898e-08 3.52403e-11 -4041.28 9.92305 );
|
|
}
|
|
}
|
|
C2HF
|
|
{
|
|
specie
|
|
{
|
|
molWeight 44.0287;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.2095 0.00369585 -1.29974e-06 2.06831e-10 -1.22578e-14 10401.7 -8.93525 );
|
|
lowCpCoeffs ( 1.30649 0.0277924 -4.86269e-05 4.25957e-08 -1.42676e-11 11286 13.9347 );
|
|
}
|
|
}
|
|
CH5+_cation
|
|
{
|
|
specie
|
|
{
|
|
molWeight 17.0505;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( -1.90106 0.0141544 -4.65133e-06 7.02482e-10 -3.99875e-14 110899 34.0742 );
|
|
lowCpCoeffs ( 3.50015 0.00821217 -1.99129e-05 2.79545e-08 -1.14895e-11 109033 4.11526 );
|
|
}
|
|
}
|
|
C13H26O2_n-acide
|
|
{
|
|
specie
|
|
{
|
|
molWeight 214.351;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 29.5217 0.079394 -2.87129e-05 4.65163e-09 -2.7903e-13 -95564.5 -123.01 );
|
|
lowCpCoeffs ( 16.7945 -0.00566176 0.0003289 -4.19967e-07 1.6451e-10 -86316.8 -28.5021 );
|
|
}
|
|
}
|
|
NiO(cr)C
|
|
{
|
|
specie
|
|
{
|
|
molWeight 74.7094;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 565;
|
|
Thigh 2228;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 714.189 -1.82136 0.00169477 -6.82322e-07 1.00866e-10 -242829 -3745.57 );
|
|
lowCpCoeffs ( 639.888 -3.3222 0.00645074 -5.509e-06 1.74671e-09 -125931 -2912.03 );
|
|
}
|
|
}
|
|
SiC2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 52.1083;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.79594 6.41167e-05 5.85686e-08 5.09494e-11 -8.2497e-15 73521.5 -9.25719 );
|
|
lowCpCoeffs ( 4.48178 0.000985019 9.67775e-06 -1.35405e-08 5.35726e-12 74493.5 4.18709 );
|
|
}
|
|
}
|
|
C20H38O2_EtOleate
|
|
{
|
|
specie
|
|
{
|
|
molWeight 310.525;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 44.3303 0.117624 -4.6024e-05 8.24321e-09 -5.54983e-13 -101020 -181.832 );
|
|
lowCpCoeffs ( 0.7664 0.195278 -2.48618e-05 -1.03584e-07 5.58438e-11 -86659.5 53.8554 );
|
|
}
|
|
}
|
|
beta_HMX__198-54
|
|
{
|
|
specie
|
|
{
|
|
molWeight 296.157;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 273;
|
|
Thigh 544;
|
|
Tcommon 273;
|
|
highCpCoeffs 7 { 0 };
|
|
lowCpCoeffs ( 19.887 -0.181295 0.00161617 -3.42369e-06 2.3031e-09 2536.48 -66.8953 );
|
|
}
|
|
}
|
|
Rn
|
|
{
|
|
specie
|
|
{
|
|
molWeight 222;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.50202 -3.9655e-06 2.53877e-09 -6.484e-13 5.71902e-17 -746.106 6.9414 );
|
|
lowCpCoeffs ( 2.5 6.21682e-15 -1.88858e-17 2.33289e-20 -9.97835e-24 -745.375 6.95244 );
|
|
}
|
|
}
|
|
NH4NO3(L)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 80.0435;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 442.85;
|
|
Thigh 900;
|
|
Tcommon 900;
|
|
highCpCoeffs 7 { 0 };
|
|
lowCpCoeffs ( 19.3637 0 0 0 0 -48437.9 -89.0301 );
|
|
}
|
|
}
|
|
CH2O2-__CH2(OO)-
|
|
{
|
|
specie
|
|
{
|
|
molWeight 46.0264;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.35131 0.0072744 -2.72493e-06 4.52118e-10 -2.75784e-14 -24573 -3.70985 );
|
|
lowCpCoeffs ( 2.68909 0.00475692 1.93234e-05 -2.64885e-08 1.00444e-11 -23280.7 12.6357 );
|
|
}
|
|
}
|
|
C7H8(L)_Toluene
|
|
{
|
|
specie
|
|
{
|
|
molWeight 92.1418;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 178.15;
|
|
Thigh 500;
|
|
Tcommon 500;
|
|
highCpCoeffs 7 { 0 };
|
|
lowCpCoeffs ( 29.3676 -0.194723 0.000974773 -1.91473e-06 1.48097e-09 -4163.18 -112.02 );
|
|
}
|
|
}
|
|
CrCl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 87.449;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 3000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.79104 0.00157357 -1.30343e-06 4.48648e-10 -4.78012e-14 14463.2 8.08527 );
|
|
lowCpCoeffs ( 2.83722 0.00808793 -1.59515e-05 1.42928e-08 -4.80443e-12 14532.8 12.0581 );
|
|
}
|
|
}
|
|
Jet-A(L)_C12H23
|
|
{
|
|
specie
|
|
{
|
|
molWeight 167.317;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 220;
|
|
Thigh 550;
|
|
Tcommon 550;
|
|
highCpCoeffs 7 { 0 };
|
|
lowCpCoeffs ( 19.0494 -0.0169183 0.000630213 -1.33364e-06 9.43345e-10 -44795.9 -67.6894 );
|
|
}
|
|
}
|
|
OS(cr)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 190.2;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 3300;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.01993 0.000249425 -1.1085e-09 5.58954e-11 -2.90168e-15 -926.336 -13.4045 );
|
|
lowCpCoeffs ( 2.16079 0.00466479 -8.62787e-06 7.57104e-09 -2.44751e-12 -789.155 -9.46568 );
|
|
}
|
|
}
|
|
C15H32_n-PentaDe
|
|
{
|
|
specie
|
|
{
|
|
molWeight 198.395;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 42.2049 0.076721 -2.95721e-05 5.39289e-09 -3.72488e-13 -63265.1 -183.863 );
|
|
lowCpCoeffs ( 23.0078 -0.0250592 0.000448516 -5.90443e-07 2.38353e-10 -51326.7 -49.5873 );
|
|
}
|
|
}
|
|
PO-_Polonium_anion
|
|
{
|
|
specie
|
|
{
|
|
molWeight 210.001;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.48875 2.32765e-05 -1.5423e-08 3.66359e-12 -2.8177e-16 -1605.01 8.3158 );
|
|
lowCpCoeffs ( 2.5 -4.39689e-07 2.02541e-09 -2.95666e-12 1.35888e-15 -1608.89 8.2549 );
|
|
}
|
|
}
|
|
Br2S
|
|
{
|
|
specie
|
|
{
|
|
molWeight 191.866;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.77826 0.000234461 -9.35744e-08 1.61723e-11 -1.01431e-15 4608.65 -2.03289 );
|
|
lowCpCoeffs ( 3.78806 0.0167025 -3.51351e-05 3.32444e-08 -1.16655e-11 5071.2 11.5155 );
|
|
}
|
|
}
|
|
O-C12D9_________O-
|
|
{
|
|
specie
|
|
{
|
|
molWeight 162.261;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 300;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 30.1232 0.0283283 -1.03665e-05 1.65933e-09 -9.65271e-14 33207.8 -135.204 );
|
|
lowCpCoeffs ( -0.732994 0.0898369 -1.37313e-05 -5.9427e-08 3.37024e-11 42943.1 30.0288 );
|
|
}
|
|
}
|
|
GeBr
|
|
{
|
|
specie
|
|
{
|
|
molWeight 152.491;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.37334 -0.000676937 2.44835e-07 -3.17858e-11 1.25231e-15 14828.1 0.207007 );
|
|
lowCpCoeffs ( 3.55873 0.00355692 -5.33455e-07 -4.21585e-09 2.54436e-12 15322.6 9.65613 );
|
|
}
|
|
}
|
|
C6H6(L)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 78.1147;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 278.68;
|
|
Thigh 500;
|
|
Tcommon 278.68;
|
|
highCpCoeffs 7 { 0 };
|
|
lowCpCoeffs ( 63.6693 -0.600537 0.00266794 -5.06311e-06 3.63957e-09 -1670.86 -243.893 );
|
|
}
|
|
}
|
|
C4H7__trans-2-Bu
|
|
{
|
|
specie
|
|
{
|
|
molWeight 55.1004;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 7.26612 0.0199858 -7.12031e-06 1.14276e-09 -6.81207e-14 23191.6 -10.9942 );
|
|
lowCpCoeffs ( 7.61389 -0.00906923 8.28486e-05 -9.61204e-08 3.59334e-11 24497.2 -5.90519 );
|
|
}
|
|
}
|
|
Ni3S2(L)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 240.258;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 1064;
|
|
Thigh 6000;
|
|
Tcommon 1064;
|
|
highCpCoeffs ( 22.7454 0 0 0 0 -27200.7 -109.907 );
|
|
lowCpCoeffs 7 { 0 };
|
|
}
|
|
}
|
|
N2O3-_ONONO-
|
|
{
|
|
specie
|
|
{
|
|
molWeight 76.0121;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 10.1756 0.00189077 -7.37782e-07 1.18498e-10 -6.98567e-15 -16673.9 -20.8613 );
|
|
lowCpCoeffs ( 2.89324 0.0319809 -5.05683e-05 3.86459e-08 -1.15116e-11 -15157.4 14.3022 );
|
|
}
|
|
}
|
|
C5H5O2__2-Penten
|
|
{
|
|
specie
|
|
{
|
|
molWeight 97.0944;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.885 0.0186597 -6.77873e-06 1.0992e-09 -6.59685e-14 -15943 -36.6955 );
|
|
lowCpCoeffs ( 5.73325 0.0125566 5.95886e-05 -8.85666e-08 3.64874e-11 -12756.3 6.37708 );
|
|
}
|
|
}
|
|
C2H5O2__C2H5OO
|
|
{
|
|
specie
|
|
{
|
|
molWeight 61.061;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.88872 0.0135833 -4.91117e-06 7.92343e-10 -4.73526e-14 -7441.07 -19.079 );
|
|
lowCpCoeffs ( 4.50099 0.00687965 4.74144e-05 -6.92287e-08 2.87395e-11 -5395.48 7.9149 );
|
|
}
|
|
}
|
|
C6H4(C2H)CH=CH*
|
|
{
|
|
specie
|
|
{
|
|
molWeight 127.167;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 20.4427 0.025013 -9.00495e-06 1.4529e-09 -8.69171e-14 65281.7 -80.3889 );
|
|
lowCpCoeffs ( -0.954204 0.0755438 -2.9979e-05 -2.70175e-08 2.02236e-11 71460 31.7842 );
|
|
}
|
|
}
|
|
CF3+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 69.0058;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.82085 0.00316762 -1.22042e-06 2.06189e-10 -1.2733e-14 46969 -9.99627 );
|
|
lowCpCoeffs ( 2.31882 0.0160922 -1.53695e-05 7.35413e-09 -1.43415e-12 48222.4 13.2253 );
|
|
}
|
|
}
|
|
O(CH)2O_Glyoxal
|
|
{
|
|
specie
|
|
{
|
|
molWeight 58.037;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.72507 0.00633097 -2.35575e-06 3.89783e-10 -2.37487e-14 -29102.4 -20.3904 );
|
|
lowCpCoeffs ( 4.68412 0.000478013 4.26391e-05 -5.79018e-08 2.31669e-11 -27198.5 4.51187 );
|
|
}
|
|
}
|
|
Fe(L)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 55.847;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 1809;
|
|
Thigh 6000;
|
|
Tcommon 1809;
|
|
highCpCoeffs ( 5.53538 0 0 0 0 -1274.3 -29.4772 );
|
|
lowCpCoeffs 7 { 0 };
|
|
}
|
|
}
|
|
W
|
|
{
|
|
specie
|
|
{
|
|
molWeight 183.85;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.33925 -0.00145843 -1.91587e-08 9.96011e-11 -1.02301e-14 99449.1 -17.1151 );
|
|
lowCpCoeffs ( 3.18638 -0.00640302 1.66669e-05 -6.947e-09 -1.5522e-12 101582 4.00007 );
|
|
}
|
|
}
|
|
C19H36O2_meOleic
|
|
{
|
|
specie
|
|
{
|
|
molWeight 296.498;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 40.7416 0.113137 -4.42917e-05 7.92639e-09 -5.32645e-13 -95317.5 -161.245 );
|
|
lowCpCoeffs ( 1.03901 0.189498 -4.90209e-05 -6.24649e-08 3.76956e-11 -82267.1 52.4855 );
|
|
}
|
|
}
|
|
MgCl2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 95.218;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 7.20631 0.000312721 -1.25428e-07 2.17526e-11 -1.36775e-15 -50240.4 -8.57712 );
|
|
lowCpCoeffs ( 4.22542 0.0157052 -3.14023e-05 2.87869e-08 -9.90121e-12 -49741.5 5.14672 );
|
|
}
|
|
}
|
|
C10H15_JP10_RAD.
|
|
{
|
|
specie
|
|
{
|
|
molWeight 135.231;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 17.7659 0.0493981 -1.78151e-05 2.88413e-09 -1.73013e-13 2126.76 -79.3159 );
|
|
lowCpCoeffs ( 4.06425 -0.00885014 0.000270738 -3.58057e-07 1.44165e-10 10135.9 13.5328 );
|
|
}
|
|
}
|
|
B2F4
|
|
{
|
|
specie
|
|
{
|
|
molWeight 97.6156;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 3000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 11.4119 0.00423788 -1.69584e-06 2.89095e-10 -1.78731e-14 -177115 -28.3355 );
|
|
lowCpCoeffs ( 3.68559 0.0272776 -2.76348e-05 1.34052e-08 -2.50849e-12 -175043 11.2163 );
|
|
}
|
|
}
|
|
C6H6_1,3-Butadie
|
|
{
|
|
specie
|
|
{
|
|
molWeight 78.1147;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.3219 0.0188371 -6.6655e-06 1.06532e-09 -6.33349e-14 36240.3 -38.6747 );
|
|
lowCpCoeffs ( 0.744284 0.0472659 -2.19464e-05 -9.84219e-09 9.27386e-12 39556.6 21.8138 );
|
|
}
|
|
}
|
|
MgCl2(cr)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 95.218;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 987;
|
|
Tcommon 500;
|
|
highCpCoeffs ( 6.75491 0.00988824 -1.33945e-05 9.65606e-09 -2.68358e-12 -79852.1 -30.1648 );
|
|
lowCpCoeffs ( 3.21841 0.0338986 -7.07623e-05 6.32297e-08 -1.58587e-11 -79449.6 -15.0474 );
|
|
}
|
|
}
|
|
Xe
|
|
{
|
|
specie
|
|
{
|
|
molWeight 131.3;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.50024 -4.69661e-07 2.96023e-10 -7.40632e-14 6.36936e-18 -745.463 6.1631 );
|
|
lowCpCoeffs ( 2.5 0 0 0 0 -745.375 6.16442 );
|
|
}
|
|
}
|
|
GeS2(II)(s)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 136.718;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 1113;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.77714 0.00712601 -2.735e-06 0 0 -16747.9 -17.2096 );
|
|
lowCpCoeffs ( 5.26457 0.0158411 -3.14864e-05 3.00355e-08 -1.04866e-11 -17420.7 -22.3062 );
|
|
}
|
|
}
|
|
Al2O
|
|
{
|
|
specie
|
|
{
|
|
molWeight 69.9624;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.83558 0.000685037 -2.69321e-07 4.60913e-11 -2.87129e-15 -20079.4 -9.0236 );
|
|
lowCpCoeffs ( 4.07405 0.0112981 -1.66855e-05 1.20474e-08 -3.43957e-12 -19465.3 4.50608 );
|
|
}
|
|
}
|
|
CuO
|
|
{
|
|
specie
|
|
{
|
|
molWeight 79.5394;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.26007 0.000468404 -2.52869e-07 6.38633e-11 -4.5607e-15 35540.1 3.7971 );
|
|
lowCpCoeffs ( 3.56937 0.00424735 -8.02845e-06 7.16722e-09 -2.42059e-12 35640.5 6.91332 );
|
|
}
|
|
}
|
|
Mg2SiO4(L)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 140.708;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 2170;
|
|
Thigh 6000;
|
|
Tcommon 2170;
|
|
highCpCoeffs ( 24.6576 0 0 0 0 -265382 -134.627 );
|
|
lowCpCoeffs 7 { 0 };
|
|
}
|
|
}
|
|
SCl2+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 102.969;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.58463 0.000508533 -2.40102e-07 4.78973e-11 -2.98065e-15 106339 -3.31652 );
|
|
lowCpCoeffs ( 3.54436 0.0146405 -2.59211e-05 2.13029e-08 -6.66864e-12 106893 10.9749 );
|
|
}
|
|
}
|
|
C20H32O2_Arachid
|
|
{
|
|
specie
|
|
{
|
|
molWeight 304.477;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 45.4008 0.0996296 -3.58619e-05 5.79653e-09 -3.47285e-13 -64440.5 -206.023 );
|
|
lowCpCoeffs ( 16.7861 0.0428171 0.000338611 -4.78108e-07 1.94511e-10 -50239.5 -26.1968 );
|
|
}
|
|
}
|
|
Sb4__tetrahedron
|
|
{
|
|
specie
|
|
{
|
|
molWeight 487;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 9.81957 0.00019171 -7.67244e-08 1.32847e-11 -8.34258e-16 21683.5 -13.4357 );
|
|
lowCpCoeffs ( 6.64296 0.0190371 -4.23118e-05 4.15076e-08 -1.49289e-11 22127.8 0.680226 );
|
|
}
|
|
}
|
|
CH4___ANHARMONIC
|
|
{
|
|
specie
|
|
{
|
|
molWeight 16.043;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 1.65326 0.0100263 -3.31661e-06 5.36483e-10 -3.14697e-14 -10009.6 9.90506 );
|
|
lowCpCoeffs ( 5.14911 -0.0136622 4.91454e-05 -4.84247e-08 1.66603e-11 -10246.6 -4.63849 );
|
|
}
|
|
}
|
|
B2H2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 23.6379;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.58156 0.00438735 -1.57757e-06 2.54736e-10 -1.52487e-14 52612.4 -7.86953 );
|
|
lowCpCoeffs ( 0.664036 0.0261573 -4.05934e-05 3.26273e-08 -1.02244e-11 53598.9 15.599 );
|
|
}
|
|
}
|
|
C2Cl5___Pentachl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 201.287;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 16.252 0.00187038 -7.49842e-07 1.2983e-10 -8.14928e-15 -2765.48 -45.6862 );
|
|
lowCpCoeffs ( 3.91975 0.0549683 -9.27441e-05 7.45661e-08 -2.32158e-11 -284.949 13.3912 );
|
|
}
|
|
}
|
|
C2Br3
|
|
{
|
|
specie
|
|
{
|
|
molWeight 263.725;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 11.041 0.00197325 -7.65383e-07 1.29885e-10 -8.04562e-15 42696.9 -19.6376 );
|
|
lowCpCoeffs ( 4.22907 0.0326663 -5.79628e-05 5.02432e-08 -1.68051e-11 44059.2 12.8181 );
|
|
}
|
|
}
|
|
C4H6_Dime_acetylen
|
|
{
|
|
specie
|
|
{
|
|
molWeight 54.0924;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 7.26055 0.0180161 -6.47062e-06 1.04411e-09 -6.24741e-14 13964.4 -12.9484 );
|
|
lowCpCoeffs ( 5.39212 0.00298346 5.22542e-05 -6.64727e-08 2.56305e-11 15514.8 1.7108 );
|
|
}
|
|
}
|
|
CHF2Br_HBFC-22B1
|
|
{
|
|
specie
|
|
{
|
|
molWeight 130.917;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 7.99574 0.00468076 -1.73758e-06 2.86773e-10 -1.74346e-14 -54211.5 -12.4352 );
|
|
lowCpCoeffs ( 3.31738 0.0131439 1.77619e-06 -1.45481e-08 7.51886e-12 -52734.6 12.7226 );
|
|
}
|
|
}
|
|
CNN-
|
|
{
|
|
specie
|
|
{
|
|
molWeight 40.0251;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.34191 0.00214753 -8.2676e-07 1.3961e-10 -8.61857e-15 45660.6 -5.15905 );
|
|
lowCpCoeffs ( 2.65805 0.00915272 -7.20602e-06 2.34344e-09 -1.54526e-13 46446.5 8.86666 );
|
|
}
|
|
}
|
|
CH2=CHO*__Vinyl-
|
|
{
|
|
specie
|
|
{
|
|
molWeight 43.0456;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.91637 0.0088465 -3.14955e-06 5.05413e-10 -3.01305e-14 -1047.8 -6.1065 );
|
|
lowCpCoeffs ( 2.66874 0.0096233 1.60617e-05 -2.87682e-08 1.2503e-11 219.438 12.5694 );
|
|
}
|
|
}
|
|
p-C6H4I2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 329.908;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 15.2787 0.0176684 -6.59041e-06 1.09072e-09 -6.64257e-14 22471 -51.2934 );
|
|
lowCpCoeffs ( 4.13755 0.0289112 2.65768e-05 -5.79088e-08 2.56642e-11 26538.8 11.0746 );
|
|
}
|
|
}
|
|
C9H12__propylben
|
|
{
|
|
specie
|
|
{
|
|
molWeight 120.196;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 28.5981 0.0182803 -3.56712e-06 7.25458e-10 -6.45252e-14 -12254.9 -128.745 );
|
|
lowCpCoeffs ( -4.50217 0.0900171 -4.52464e-05 -7.61349e-09 1.11746e-11 -1292.98 48.9767 );
|
|
}
|
|
}
|
|
ClO
|
|
{
|
|
specie
|
|
{
|
|
molWeight 51.4524;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.29005 0.000302501 -8.41632e-08 1.43564e-11 -8.51619e-16 10886.6 3.41742 );
|
|
lowCpCoeffs ( 3.1062 0.00502118 -7.54975e-06 5.50562e-09 -1.56135e-12 11138.9 9.16896 );
|
|
}
|
|
}
|
|
C18H15N__Triphamin
|
|
{
|
|
specie
|
|
{
|
|
molWeight 245.327;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 34.9654 0.0572684 -2.10215e-05 3.44006e-09 -2.0782e-13 22320.9 -162.045 );
|
|
lowCpCoeffs ( 1.32644 0.0825037 0.000121824 -2.36402e-07 1.05193e-10 34607.5 27.2635 );
|
|
}
|
|
}
|
|
C8H7___1,3,5,7_Cy
|
|
{
|
|
specie
|
|
{
|
|
molWeight 103.145;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 15.378 0.0247318 -8.92755e-06 1.44632e-09 -8.68079e-14 53315.2 -57.4967 );
|
|
lowCpCoeffs ( 0.221489 0.0439671 3.08077e-05 -8.02318e-08 3.77773e-11 58455.7 25.8576 );
|
|
}
|
|
}
|
|
PbS(cr)__GALENA
|
|
{
|
|
specie
|
|
{
|
|
molWeight 239.254;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 1386.5;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 392.418 -1.30528 0.00164763 -9.20404e-07 1.92245e-10 -104837 -1951.92 );
|
|
lowCpCoeffs ( 3.11409 0.0178118 -3.67438e-05 3.32105e-08 -1.07912e-11 -13420.1 -10.7236 );
|
|
}
|
|
}
|
|
MgBr2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 184.114;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 7.30974 0.000204699 -8.26325e-08 1.43923e-11 -9.07682e-16 -39123.3 -6.16118 );
|
|
lowCpCoeffs ( 5.05117 0.0124777 -2.6004e-05 2.45264e-08 -8.60602e-12 -38767.8 4.10874 );
|
|
}
|
|
}
|
|
C4H2+__DiAcetyle
|
|
{
|
|
specie
|
|
{
|
|
molWeight 50.06;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.19035 0.00715045 -2.51398e-06 4.00072e-10 -2.37137e-14 171021 -20.1928 );
|
|
lowCpCoeffs ( -0.416885 0.0440017 -6.60486e-05 5.12937e-08 -1.56267e-11 172778 21.1161 );
|
|
}
|
|
}
|
|
KNO3(a)_Rhombic
|
|
{
|
|
specie
|
|
{
|
|
molWeight 101.107;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 402;
|
|
Tcommon 200;
|
|
highCpCoeffs 7 { 0 };
|
|
lowCpCoeffs ( 227.229 -3.37546 0.0190896 -4.6558e-05 4.14596e-08 -71086.5 -791.334 );
|
|
}
|
|
}
|
|
C2HCl3
|
|
{
|
|
specie
|
|
{
|
|
molWeight 165.834;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 10.7946 0.00478342 -1.75748e-06 2.88222e-10 -1.74502e-14 -5240.81 -24.5413 );
|
|
lowCpCoeffs ( 2.52876 0.034695 -4.516e-05 3.00517e-08 -8.02418e-12 -3302.78 16.4273 );
|
|
}
|
|
}
|
|
C5H5N5O__Guanine
|
|
{
|
|
specie
|
|
{
|
|
molWeight 151.129;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 20.6521 0.0226654 -8.18941e-06 1.32873e-09 -7.98694e-14 -7102.51 -83.8006 );
|
|
lowCpCoeffs ( -0.684226 0.0698448 -2.1564e-05 -3.21123e-08 2.08927e-11 -731.921 28.9974 );
|
|
}
|
|
}
|
|
s-1-C10H7-CH2*
|
|
{
|
|
specie
|
|
{
|
|
molWeight 141.194;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 21.8978 0.0326103 -1.18401e-05 1.92575e-09 -1.15903e-13 22457.1 -94.1051 );
|
|
lowCpCoeffs ( -2.53234 0.073292 2.02975e-05 -9.36548e-08 4.70754e-11 30290.7 37.9639 );
|
|
}
|
|
}
|
|
C16H320O2_etMyrist
|
|
{
|
|
specie
|
|
{
|
|
molWeight 256.432;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 37.2943 0.0970996 -3.79094e-05 6.77144e-09 -4.54504e-13 -103012 -156.423 );
|
|
lowCpCoeffs ( 3.35393 0.147346 9.64733e-06 -1.12672e-07 5.49838e-11 -91273.5 29.8611 );
|
|
}
|
|
}
|
|
PH3_RRHO
|
|
{
|
|
specie
|
|
{
|
|
molWeight 33.9977;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.71229 0.00585959 -2.16608e-06 3.56196e-10 -2.15913e-14 -188.864 1.92782 );
|
|
lowCpCoeffs ( 4.1701 -0.00506487 2.86028e-05 -3.13124e-08 1.13448e-11 203.144 2.02005 );
|
|
}
|
|
}
|
|
C4H6Cl2_1,4-DiCl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 124.998;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 14.0517 0.0160922 -5.80442e-06 9.39283e-10 -5.63156e-14 -12236.1 -40.7946 );
|
|
lowCpCoeffs ( 4.62931 0.0213074 4.38339e-05 -8.04356e-08 3.58875e-11 -8812.42 12.3975 );
|
|
}
|
|
}
|
|
CHBr2Cl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 208.274;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 9.18257 0.00349093 -1.27783e-06 2.08983e-10 -1.26268e-14 -3574.2 -14.6435 );
|
|
lowCpCoeffs ( 3.27787 0.024194 -2.92521e-05 1.72039e-08 -3.83158e-12 -2181.19 14.7186 );
|
|
}
|
|
}
|
|
HNO2-_cis____HF2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 47.014;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.53436 0.00286427 -9.81473e-07 1.53595e-10 -9.00147e-15 -16505 -6.52571 );
|
|
lowCpCoeffs ( 3.45831 0.0135052 -1.53062e-05 9.02456e-09 -2.1201e-12 -15770 8.81518 );
|
|
}
|
|
}
|
|
C2F6____FC-116
|
|
{
|
|
specie
|
|
{
|
|
molWeight 138.013;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 17.0285 0.00464175 -1.92155e-06 3.37539e-10 -2.13452e-14 -168770 -59.8113 );
|
|
lowCpCoeffs ( 1.56504 0.051091 -5.07168e-05 1.88994e-08 -7.73771e-13 -164756 18.9556 );
|
|
}
|
|
}
|
|
ClC2H4OH__ATcT_C
|
|
{
|
|
specie
|
|
{
|
|
molWeight 80.5146;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.83348 0.0130144 -4.56709e-06 7.25869e-10 -4.29856e-14 -35942.7 -17.7646 );
|
|
lowCpCoeffs ( 3.29693 0.0155882 2.61101e-05 -4.87089e-08 2.16773e-11 -33904.2 13.6163 );
|
|
}
|
|
}
|
|
AlBr
|
|
{
|
|
specie
|
|
{
|
|
molWeight 106.882;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.2705 0.00043658 -2.12409e-07 5.09687e-11 -3.43794e-15 428.892 4.35442 );
|
|
lowCpCoeffs ( 3.11722 0.00735327 -1.54704e-05 1.47356e-08 -5.19351e-12 576.676 9.43592 );
|
|
}
|
|
}
|
|
C6Cr23
|
|
{
|
|
specie
|
|
{
|
|
molWeight 1267.97;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 1793;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 90.1159 -0.00396674 2.71679e-05 -9.85562e-09 1.44624e-12 -68376.6 -444.799 );
|
|
lowCpCoeffs ( 13.8921 0.331573 -0.000526586 3.94795e-07 -1.08767e-10 -54458.3 -84.2576 );
|
|
}
|
|
}
|
|
C6H6_1,3-Hexadie
|
|
{
|
|
specie
|
|
{
|
|
molWeight 78.1147;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.2305 0.0189884 -6.73575e-06 1.07835e-09 -6.41836e-14 35893.3 -37.8615 );
|
|
lowCpCoeffs ( 2.05823 0.0389539 -4.05259e-06 -2.62016e-08 1.47394e-11 39047.7 16.4912 );
|
|
}
|
|
}
|
|
Na2O
|
|
{
|
|
specie
|
|
{
|
|
molWeight 61.979;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 7.22445 0.000289517 -1.15117e-07 1.98466e-11 -1.24264e-15 -4227.57 -8.78255 );
|
|
lowCpCoeffs ( 4.47778 0.0141517 -2.77158e-05 2.4968e-08 -8.46423e-12 -3756.21 3.92862 );
|
|
}
|
|
}
|
|
CHCl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 48.4721;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.56353 0.000300134 -9.88997e-08 1.86048e-11 -1.31979e-15 36151.6 -10.2479 );
|
|
lowCpCoeffs ( 4.57769 -0.00961303 4.74564e-05 -5.89051e-08 2.32661e-11 37319.7 3.42962 );
|
|
}
|
|
}
|
|
CH4____RRHO
|
|
{
|
|
specie
|
|
{
|
|
molWeight 16.043;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 1.91179 0.00960268 -3.38388e-06 5.38797e-10 -3.19307e-14 -10099.2 8.48242 );
|
|
lowCpCoeffs ( 5.14826 -0.0137002 4.93749e-05 -4.91952e-08 1.70097e-11 -10245.3 -4.63323 );
|
|
}
|
|
}
|
|
C4H10_n-butane
|
|
{
|
|
specie
|
|
{
|
|
molWeight 58.1243;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 9.44548 0.0257857 -9.23613e-06 1.48632e-09 -8.87891e-14 -20138.4 -26.3478 );
|
|
lowCpCoeffs ( 6.14474 0.0001645 9.67849e-05 -1.25486e-07 4.97846e-11 -17598.9 -1.08059 );
|
|
}
|
|
}
|
|
ClI__Iodine_Chlo
|
|
{
|
|
specie
|
|
{
|
|
molWeight 162.357;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.26068 0.00248651 -1.58599e-06 3.90264e-10 -2.52854e-14 1151.91 10.7864 );
|
|
lowCpCoeffs ( 3.09301 0.00743443 -1.56127e-05 1.4828e-08 -5.21657e-12 950.002 10.4952 );
|
|
}
|
|
}
|
|
C4F6_CycloButene
|
|
{
|
|
specie
|
|
{
|
|
molWeight 162.035;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 19.4762 0.00860284 -3.33983e-06 5.66997e-10 -3.51292e-14 -153044 -70.6669 );
|
|
lowCpCoeffs ( 4.2381 0.0498 -4.01139e-05 9.85389e-09 1.49299e-12 -148774 8.3064 );
|
|
}
|
|
}
|
|
C24Cl12_Coronene
|
|
{
|
|
specie
|
|
{
|
|
molWeight 713.704;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 67.4675 0.038533 -1.48783e-05 2.51718e-09 -1.55594e-13 -8866.06 -309.601 );
|
|
lowCpCoeffs ( 5.48199 0.230028 -0.000253822 1.50445e-07 -3.86481e-11 7736.8 6.87155 );
|
|
}
|
|
}
|
|
O2-
|
|
{
|
|
specie
|
|
{
|
|
molWeight 31.9993;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.95666 0.000598142 -2.12134e-07 3.63268e-11 -2.24989e-15 -7062.87 2.27871 );
|
|
lowCpCoeffs ( 3.66443 -0.000928741 6.45477e-06 -7.74703e-09 2.93333e-12 -6870.77 4.35141 );
|
|
}
|
|
}
|
|
SD
|
|
{
|
|
specie
|
|
{
|
|
molWeight 34.0781;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.24505 0.00125277 -4.46274e-07 7.30968e-11 -4.33085e-15 15790.6 4.90619 );
|
|
lowCpCoeffs ( 3.69382 -0.00183803 5.23926e-06 -3.83523e-09 8.60488e-13 15796.2 3.14078 );
|
|
}
|
|
}
|
|
C3H2F4_CF3-CF=CF3
|
|
{
|
|
specie
|
|
{
|
|
molWeight 114.043;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 14.311 0.00944785 -3.52268e-06 5.79392e-10 -3.50621e-14 -103384 -46.913 );
|
|
lowCpCoeffs ( 1.00153 0.0498008 -4.61878e-05 1.64792e-08 -3.13156e-13 -99948.7 20.7747 );
|
|
}
|
|
}
|
|
BF4-
|
|
{
|
|
specie
|
|
{
|
|
molWeight 86.8051;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 10.3595 0.00271707 -1.06696e-06 1.8246e-10 -1.13606e-14 -215572 -28.729 );
|
|
lowCpCoeffs ( 0.293703 0.039889 -5.5818e-05 3.81239e-08 -1.03079e-11 -213268 20.9339 );
|
|
}
|
|
}
|
|
NO2HCCNO2_radical
|
|
{
|
|
specie
|
|
{
|
|
molWeight 117.041;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 3500;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 16.5743 0.00740298 -2.99656e-06 5.16982e-10 -3.22543e-14 33099.3 -54.5845 );
|
|
lowCpCoeffs ( 3.09929 0.0391027 -1.69246e-05 -1.51337e-08 1.13217e-11 37009 16.1402 );
|
|
}
|
|
}
|
|
C4H5O2_E-Crotoat
|
|
{
|
|
specie
|
|
{
|
|
molWeight 85.0833;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 10.7322 0.017313 -6.28875e-06 1.019e-09 -6.10775e-14 -19737.4 -25.1812 );
|
|
lowCpCoeffs ( 6.52224 0.0026086 6.93597e-05 -9.28992e-08 3.71231e-11 -17348.6 2.7907 );
|
|
}
|
|
}
|
|
MgF2+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 62.3083;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.93847 0.000619707 -2.63744e-07 4.86398e-11 -3.04693e-15 67858 -8.96995 );
|
|
lowCpCoeffs ( 3.48833 0.0154927 -2.57155e-05 2.01855e-08 -6.11095e-12 68542.9 7.53038 );
|
|
}
|
|
}
|
|
C14H30_Tetradecan
|
|
{
|
|
specie
|
|
{
|
|
molWeight 198.395;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 40.4003 0.0708445 -2.77401e-05 5.12326e-09 -3.57048e-13 -59639.6 -176.387 );
|
|
lowCpCoeffs ( 21.507 -0.0214808 0.0004073 -5.30537e-07 2.11482e-10 -48049.6 -45.4774 );
|
|
}
|
|
}
|
|
SF3+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 89.0587;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.32688 0.00175044 -6.99991e-07 1.21651e-10 -7.55999e-15 44418 -16.4482 );
|
|
lowCpCoeffs ( 1.00133 0.0297603 -4.33756e-05 3.05849e-08 -8.47941e-12 46042.4 19.4465 );
|
|
}
|
|
}
|
|
H2+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 2.0154;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.44205 0.000599083 6.69134e-08 -3.43574e-11 1.97627e-15 178650 -2.79499 );
|
|
lowCpCoeffs ( 3.77256 -0.00195747 4.54812e-06 -2.82152e-09 5.33969e-13 178695 -3.96609 );
|
|
}
|
|
}
|
|
C3H8O_2propanol
|
|
{
|
|
specie
|
|
{
|
|
molWeight 60.0966;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 9.64184 0.0200231 -7.11967e-06 1.14139e-09 -6.79935e-14 -37483.6 -25.6288 );
|
|
lowCpCoeffs ( 4.30755 0.0102583 6.19565e-05 -9.02974e-08 3.73936e-11 -34924.9 7.55996 );
|
|
}
|
|
}
|
|
BrO2__Br-O-O
|
|
{
|
|
specie
|
|
{
|
|
molWeight 111.9;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.86469 0.00115054 -4.48749e-07 7.65401e-11 -4.76383e-15 11336.4 0.0725755 );
|
|
lowCpCoeffs ( 3.86331 0.00932478 -1.53469e-05 1.36105e-08 -4.81344e-12 11795 9.86331 );
|
|
}
|
|
}
|
|
NH+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 15.0141;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.95919 0.00134992 -4.61488e-07 8.26978e-11 -5.55759e-15 199525 5.59978 );
|
|
lowCpCoeffs ( 4.61611 -0.00313436 2.91705e-06 2.57385e-10 -7.31431e-13 199085 -2.92758 );
|
|
}
|
|
}
|
|
C6H5ClO__2,5-cyc
|
|
{
|
|
specie
|
|
{
|
|
molWeight 128.559;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 15.0103 0.0199757 -7.27896e-06 1.18671e-09 -7.15401e-14 -13485 -52.7889 );
|
|
lowCpCoeffs ( 1.78698 0.0392435 1.66121e-05 -5.53241e-08 2.65038e-11 -9046.57 19.5344 );
|
|
}
|
|
}
|
|
C7H8__1,6-diyne
|
|
{
|
|
specie
|
|
{
|
|
molWeight 92.1418;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 14.247 0.0251618 -8.94292e-06 1.43341e-09 -8.53831e-14 41120.6 -47.5631 );
|
|
lowCpCoeffs ( 2.65094 0.0475342 -6.58275e-06 -2.70985e-08 1.531e-11 44797.6 14.6492 );
|
|
}
|
|
}
|
|
CHCl2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 83.9251;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.80211 0.00286001 -1.03664e-06 1.68417e-10 -1.01027e-14 9169.3 -5.70765 );
|
|
lowCpCoeffs ( 3.41194 0.0140169 -1.42772e-05 6.24722e-09 -6.15096e-13 9995.83 11.2992 );
|
|
}
|
|
}
|
|
C2H3I_Iodoethyle
|
|
{
|
|
specie
|
|
{
|
|
molWeight 153.951;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.44274 0.00841888 -3.00448e-06 4.82845e-10 -2.88126e-14 13001 -4.03486 );
|
|
lowCpCoeffs ( 2.74109 0.0125142 8.6097e-06 -2.16359e-08 1.00821e-11 14291.1 16.478 );
|
|
}
|
|
}
|
|
CH2N__H*C=NH__cis
|
|
{
|
|
specie
|
|
{
|
|
molWeight 28.0338;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.21965 0.00500385 -1.76392e-06 2.80726e-10 -1.65852e-14 33337.2 1.67138 );
|
|
lowCpCoeffs ( 3.68324 -0.00138553 2.40042e-05 -3.11574e-08 1.25792e-11 33819.3 6.21247 );
|
|
}
|
|
}
|
|
Na(L)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 22.9898;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 371.01;
|
|
Thigh 2300;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.59859 -0.00242459 1.32454e-06 -4.12375e-11 6.40167e-15 -998.536 -18.6257 );
|
|
lowCpCoeffs ( 4.32382 -0.00141145 -1.31069e-07 9.17458e-10 -2.35065e-13 -936.522 -17.2723 );
|
|
}
|
|
}
|
|
B(L)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 10.811;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 2350;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.81863 0 0 0 0 3360.6 -20.7323 );
|
|
lowCpCoeffs 7 { 0 };
|
|
}
|
|
}
|
|
C10H2__linear
|
|
{
|
|
specie
|
|
{
|
|
molWeight 122.127;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 20.1788 0.012949 -4.7032e-06 7.65049e-10 -4.60464e-14 127450 -72.552 );
|
|
lowCpCoeffs ( -0.19808 0.114321 -0.000209918 1.91e-07 -6.60617e-11 131190 22.5339 );
|
|
}
|
|
}
|
|
B3O3F3
|
|
{
|
|
specie
|
|
{
|
|
molWeight 137.426;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 17.0495 0.00804064 -3.125e-06 5.30869e-10 -3.29043e-14 -293210 -60.8631 );
|
|
lowCpCoeffs ( 2.25601 0.046567 -3.26831e-05 1.27816e-09 5.045e-12 -289030 16.0606 );
|
|
}
|
|
}
|
|
PbCl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 242.643;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.77879 -0.000576186 4.16286e-07 -7.78044e-11 4.41849e-15 -399.31 4.22241 );
|
|
lowCpCoeffs ( 3.43347 0.00591645 -1.27643e-05 1.23645e-08 -4.40461e-12 -135.549 10.568 );
|
|
}
|
|
}
|
|
C2H5OH(L)_McBrid
|
|
{
|
|
specie
|
|
{
|
|
molWeight 46.0695;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 159;
|
|
Thigh 390;
|
|
Tcommon 390;
|
|
highCpCoeffs 7 { 0 };
|
|
lowCpCoeffs ( 7.56213 0.0605918 -0.000459386 1.40542e-06 -1.08065e-09 -36533.1 -31.7591 );
|
|
}
|
|
}
|
|
C10_linear_triple
|
|
{
|
|
specie
|
|
{
|
|
molWeight 120.112;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 17.4688 0.0106945 -4.05332e-06 6.77655e-10 -4.15514e-14 202849 -58.5745 );
|
|
lowCpCoeffs ( 3.4855 0.0640662 -9.35342e-05 7.56085e-08 -2.48799e-11 206209 10.6203 );
|
|
}
|
|
}
|
|
C2Cl2F4__FC-114
|
|
{
|
|
specie
|
|
{
|
|
molWeight 170.922;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 17.8231 0.00427531 -1.87271e-06 3.38679e-10 -2.17887e-14 -118552 -60.5623 );
|
|
lowCpCoeffs ( 2.35428 0.057587 -7.6654e-05 5.12573e-08 -1.40021e-11 -114745 16.8934 );
|
|
}
|
|
}
|
|
H2S2__H-S-S-H
|
|
{
|
|
specie
|
|
{
|
|
molWeight 66.1439;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.69403 0.00390495 -1.41886e-06 2.30689e-10 -1.38746e-14 -165.807 -3.74139 );
|
|
lowCpCoeffs ( 2.09117 0.019422 -2.89396e-05 2.30252e-08 -7.20187e-12 591.057 13.5884 );
|
|
}
|
|
}
|
|
MgO
|
|
{
|
|
specie
|
|
{
|
|
molWeight 40.3114;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.63658 0.000707219 -1.01744e-06 2.70917e-10 -2.13821e-14 796.794 -14.5651 );
|
|
lowCpCoeffs ( 2.74584 0.00732623 -2.06147e-05 3.38242e-08 -1.67056e-11 2859 8.47752 );
|
|
}
|
|
}
|
|
C4H8,cis2-buten
|
|
{
|
|
specie
|
|
{
|
|
molWeight 56.1084;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 7.37357 0.0229134 -8.26009e-06 1.33374e-09 -7.96411e-14 -5019.12 -14.4525 );
|
|
lowCpCoeffs ( 5.44418 -0.00520452 9.62907e-05 -1.20069e-07 4.68195e-11 -2910.2 3.46051 );
|
|
}
|
|
}
|
|
Si
|
|
{
|
|
specie
|
|
{
|
|
molWeight 28.086;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.56371 -0.000178466 1.7935e-07 -4.29523e-11 3.18032e-15 53389.2 5.70013 );
|
|
lowCpCoeffs ( 3.76455 -0.00708058 1.55123e-05 -1.50413e-08 5.36989e-12 53204.7 0.298449 );
|
|
}
|
|
}
|
|
C7H5NS_Benzothiaz
|
|
{
|
|
specie
|
|
{
|
|
molWeight 135.189;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 16.6443 0.0212477 -7.75348e-06 1.26555e-09 -7.63634e-14 16908 -64.5478 );
|
|
lowCpCoeffs ( -0.923877 0.0491355 1.97405e-05 -7.21022e-08 3.54777e-11 22598.7 30.7415 );
|
|
}
|
|
}
|
|
AlCl2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 97.8875;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.66351 0.000383627 -1.79799e-07 3.92861e-11 -2.82682e-15 -31054.9 -3.35089 );
|
|
lowCpCoeffs ( 3.34487 0.0172432 -3.38886e-05 3.0576e-08 -1.03717e-11 -30490.2 11.9816 );
|
|
}
|
|
}
|
|
s-(CH3)3COOC(CH3)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 146.231;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 33.8615 0.0428687 -1.96123e-05 3.5252e-09 -2.21764e-13 -58772.8 -158.846 );
|
|
lowCpCoeffs ( 1.93765 0.0922209 -3.4286e-05 -9.46404e-10 3.24877e-13 -45625.2 21.0151 );
|
|
}
|
|
}
|
|
H7F7
|
|
{
|
|
specie
|
|
{
|
|
molWeight 140.045;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 23.0516 0.0140008 -4.77583e-06 7.43396e-10 -4.3348e-14 -260497 -70.5634 );
|
|
lowCpCoeffs ( 6.14033 0.0907752 -0.000139856 1.08209e-07 -3.22912e-11 -257363 9.26172 );
|
|
}
|
|
}
|
|
C2H3F
|
|
{
|
|
specie
|
|
{
|
|
molWeight 46.0446;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.92787 0.00889384 -3.17972e-06 5.11682e-10 -3.05632e-14 -19488.5 -7.04448 );
|
|
lowCpCoeffs ( 2.6115 0.00668684 2.76818e-05 -4.33825e-08 1.85254e-11 -18093.5 12.6328 );
|
|
}
|
|
}
|
|
C3H5_Cyclopropyl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 41.0733;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.62512 0.0136577 -4.90067e-06 7.90436e-10 -4.7286e-14 30324 -13.1845 );
|
|
lowCpCoeffs ( 2.15144 0.00380172 6.14539e-05 -8.83383e-08 3.70566e-11 32468.9 14.8309 );
|
|
}
|
|
}
|
|
NSC3H3_IsoThiazole
|
|
{
|
|
specie
|
|
{
|
|
molWeight 85.1281;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 9.621 0.0111031 -4.01524e-06 6.51498e-10 -3.91516e-14 14930.7 -26.2983 );
|
|
lowCpCoeffs ( 0.30598 0.0234261 2.15919e-05 -5.35546e-08 2.55519e-11 17981.9 24.592 );
|
|
}
|
|
}
|
|
PbS(L)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 239.254;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 1386.5;
|
|
Thigh 6000;
|
|
Tcommon 1386.5;
|
|
highCpCoeffs ( 8.0582 0 0 0 0 -10072.4 -33.1657 );
|
|
lowCpCoeffs 7 { 0 };
|
|
}
|
|
}
|
|
COF2-_anion
|
|
{
|
|
specie
|
|
{
|
|
molWeight 66.0079;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 7.79453 0.0022315 -8.67763e-07 1.47488e-10 -9.14537e-15 -76327.9 -13.9125 );
|
|
lowCpCoeffs ( 1.53473 0.0252734 -3.52391e-05 2.46148e-08 -6.88715e-12 -74873.1 17.0363 );
|
|
}
|
|
}
|
|
CN
|
|
{
|
|
specie
|
|
{
|
|
molWeight 26.0179;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.39913 0.000746549 -1.41494e-07 1.86748e-11 -1.26033e-15 51657 4.67149 );
|
|
lowCpCoeffs ( 3.61256 -0.000953016 2.13757e-06 -3.05002e-10 -4.70518e-13 51708.4 3.98239 );
|
|
}
|
|
}
|
|
C3H6O2_Meacetate
|
|
{
|
|
specie
|
|
{
|
|
molWeight 74.0801;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.38777 0.0190837 -6.82197e-06 1.09765e-09 -6.55562e-14 -54080.6 -16.4156 );
|
|
lowCpCoeffs ( 7.18745 -0.00629222 8.17059e-05 -9.82941e-08 3.73745e-11 -52341.7 -3.24162 );
|
|
}
|
|
}
|
|
C6H9__C5H7-3-CH2*
|
|
{
|
|
specie
|
|
{
|
|
molWeight 81.1386;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 300;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 13.078 0.0244177 -7.61073e-06 1.14194e-09 -6.74704e-14 8191.11 -46.9057 );
|
|
lowCpCoeffs ( -5.96238 0.0707538 -4.60277e-05 1.33138e-08 -1.12354e-12 14037.3 53.6995 );
|
|
}
|
|
}
|
|
IO2__I-O-O
|
|
{
|
|
specie
|
|
{
|
|
molWeight 158.903;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.98555 0.00100993 -3.88838e-07 6.56598e-11 -4.05317e-15 12088.7 1.04059 );
|
|
lowCpCoeffs ( 5.01488 0.0040367 -5.27432e-06 4.73351e-09 -1.84253e-12 12375.2 6.06533 );
|
|
}
|
|
}
|
|
C2H3+__Vinylium
|
|
{
|
|
specie
|
|
{
|
|
molWeight 27.0457;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.10637 0.00693433 -2.51038e-06 4.15438e-10 -2.52448e-14 132997 -4.3701 );
|
|
lowCpCoeffs ( 2.04326 0.0191614 -2.33884e-05 1.7561e-08 -5.45673e-12 133705 10.6438 );
|
|
}
|
|
}
|
|
K
|
|
{
|
|
specie
|
|
{
|
|
molWeight 39.102;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.11463 0.000827022 -5.98521e-07 1.69783e-10 -1.29058e-14 10090.3 7.12149 );
|
|
lowCpCoeffs ( 2.50001 -7.51812e-08 2.70169e-10 -3.95192e-13 2.00365e-16 9958.8 5.04054 );
|
|
}
|
|
}
|
|
ZrO2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 123.219;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.98236 0.00140245 -8.0148e-07 2.01947e-10 -1.5547e-14 -40115.9 -1.88917 );
|
|
lowCpCoeffs ( 3.94164 0.006133 -1.28111e-06 -5.39637e-09 3.37256e-12 -39558.7 8.73591 );
|
|
}
|
|
}
|
|
D-
|
|
{
|
|
specie
|
|
{
|
|
molWeight 2.01464;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.5 0 0 0 0 17907.6 -0.101024 );
|
|
lowCpCoeffs ( 2.5 0 0 0 0 17907.6 -0.101024 );
|
|
}
|
|
}
|
|
HNO3+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 63.0123;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.06529 0.00396593 -1.43323e-06 2.32588e-10 -1.39835e-14 120456 -13.8134 );
|
|
lowCpCoeffs ( 0.696075 0.0308976 -4.05429e-05 2.68505e-08 -7.08467e-12 122156 22.6095 );
|
|
}
|
|
}
|
|
CClF
|
|
{
|
|
specie
|
|
{
|
|
molWeight 66.4626;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.94293 0.00109263 -4.31688e-07 7.39219e-11 -4.5175e-15 1085.7 -3.48119 );
|
|
lowCpCoeffs ( 2.95154 0.0098219 -8.63478e-06 1.86446e-09 6.70154e-13 1864.25 11.7893 );
|
|
}
|
|
}
|
|
C6H12,cyclo-
|
|
{
|
|
specie
|
|
{
|
|
molWeight 84.1625;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 13.2146 0.0358243 -1.32111e-05 2.17203e-09 -1.31731e-13 -22809.2 -55.3518 );
|
|
lowCpCoeffs ( 4.04358 -0.00619608 0.000176622 -2.22968e-07 8.63669e-11 -16920.4 8.52527 );
|
|
}
|
|
}
|
|
s-(-ClC=C=CCl-)_cy
|
|
{
|
|
specie
|
|
{
|
|
molWeight 106.939;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.9971 -0.00153202 6.00722e-07 -9.70932e-11 5.86001e-15 21549.9 -42.5775 );
|
|
lowCpCoeffs ( 3.36067 0.0355611 -5.33472e-05 3.45555e-08 -8.16687e-12 23593.7 4.36141 );
|
|
}
|
|
}
|
|
CN+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 26.0173;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 7.29015 -0.00246334 9.0361e-07 -1.35972e-10 7.33718e-15 212185 -19.1343 );
|
|
lowCpCoeffs ( 6.92817 -0.0281496 7.5852e-05 -7.24183e-08 2.33894e-11 213801 -10.1732 );
|
|
}
|
|
}
|
|
S2O
|
|
{
|
|
specie
|
|
{
|
|
molWeight 80.1274;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.02402 0.00100036 -3.91923e-07 6.6924e-11 -4.16276e-15 -8765.31 -2.9369 );
|
|
lowCpCoeffs ( 3.0187 0.0108576 -1.25419e-05 6.57658e-09 -1.21574e-12 -8023.71 12.1739 );
|
|
}
|
|
}
|
|
Hg(cr)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 200.59;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 100;
|
|
Thigh 234.29;
|
|
Tcommon 234.29;
|
|
highCpCoeffs 7 { 0 };
|
|
lowCpCoeffs ( 2.08094 0.0131378 -5.97578e-05 1.20303e-07 0 -1175.32 -6.16092 );
|
|
}
|
|
}
|
|
GeS(s)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 104.654;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 930;
|
|
Tcommon 200;
|
|
highCpCoeffs 7 { 0 };
|
|
lowCpCoeffs ( 2.7469 0.0192055 -4.27452e-05 4.57667e-08 -1.78746e-11 -8736.99 -11.796 );
|
|
}
|
|
}
|
|
D2O
|
|
{
|
|
specie
|
|
{
|
|
molWeight 20.0276;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.94501 0.00354822 -1.20331e-06 1.90643e-10 -1.12513e-14 -30982.1 6.1228 );
|
|
lowCpCoeffs ( 4.09683 -0.00167121 7.73455e-06 -6.88015e-09 2.18931e-12 -31175.9 0.723653 );
|
|
}
|
|
}
|
|
DOT__Water-DT
|
|
{
|
|
specie
|
|
{
|
|
molWeight 65.9135;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.1637 0.00341226 -1.22333e-06 1.97034e-10 -1.17701e-14 -32219.2 5.79937 );
|
|
lowCpCoeffs ( 4.14137 -0.00221443 9.49893e-06 -8.55405e-09 2.66606e-12 -32305.4 1.559 );
|
|
}
|
|
}
|
|
B2H6
|
|
{
|
|
specie
|
|
{
|
|
molWeight 27.6698;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.34021 0.0146415 -5.42487e-06 8.93522e-10 -5.42253e-14 1023.15 -14.3086 );
|
|
lowCpCoeffs ( 2.63141 0.00465757 4.86433e-05 -6.5538e-08 2.60019e-11 3097.85 9.89051 );
|
|
}
|
|
}
|
|
TRI-NITRO_BENZEN
|
|
{
|
|
specie
|
|
{
|
|
molWeight 213.107;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 28.7195 0.0208056 -8.0368e-06 1.35348e-09 -8.32406e-14 -3921.48 -115.711 );
|
|
lowCpCoeffs ( 2.18818 0.102515 -0.000105643 5.50716e-08 -1.13738e-11 3118.93 19.5711 );
|
|
}
|
|
}
|
|
SiF3
|
|
{
|
|
specie
|
|
{
|
|
molWeight 85.0812;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.53374 0.00151373 -5.9557e-07 1.01972e-10 -6.35434e-15 -122405 -15.8446 );
|
|
lowCpCoeffs ( 2.73119 0.0217689 -2.7572e-05 1.60952e-08 -3.4758e-12 -121042 13.0073 );
|
|
}
|
|
}
|
|
C3H7NO3_NPN
|
|
{
|
|
specie
|
|
{
|
|
molWeight 105.094;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 13.316 0.023355 -8.72302e-06 1.43851e-09 -8.72316e-14 -28426 -40.6291 );
|
|
lowCpCoeffs ( 4.69954 0.0174527 6.53066e-05 -9.90515e-08 4.08918e-11 -24608.3 11.0308 );
|
|
}
|
|
}
|
|
air
|
|
{
|
|
specie
|
|
{
|
|
molWeight 28.9644;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.08793 0.00124597 -4.23719e-07 6.74775e-11 -3.97077e-15 -995.263 5.95961 );
|
|
lowCpCoeffs ( 3.5684 -0.000678729 1.55371e-06 -3.29937e-12 -4.66395e-13 -1062.35 3.71583 );
|
|
}
|
|
}
|
|
C6H5I_Iodobenzen
|
|
{
|
|
specie
|
|
{
|
|
molWeight 204.011;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 13.3737 0.0187627 -6.84193e-06 1.11591e-09 -6.72889e-14 13303 -44.4152 );
|
|
lowCpCoeffs ( 1.93179 0.0279645 4.02135e-05 -7.91975e-08 3.54308e-11 17437.6 19.7895 );
|
|
}
|
|
}
|
|
o-C6H5ClO_trans(E)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 163.004;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 15.5142 0.0186637 -6.71439e-06 1.08584e-09 -6.51081e-14 -20976.1 -55.2695 );
|
|
lowCpCoeffs ( -0.318134 0.0546138 -1.91924e-05 -2.15536e-08 1.49346e-11 -16299.5 28.1821 );
|
|
}
|
|
}
|
|
C4H5N3O__Cytosine
|
|
{
|
|
specie
|
|
{
|
|
molWeight 111.104;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 16.2821 0.0172314 -6.13327e-06 9.85189e-10 -5.88091e-14 -15358.8 -60.2942 );
|
|
lowCpCoeffs ( -2.36611 0.0659621 -3.89571e-05 -8.05878e-09 1.17265e-11 -10230.7 36.2729 );
|
|
}
|
|
}
|
|
HOF+_Hypoflorous
|
|
{
|
|
specie
|
|
{
|
|
molWeight 36.0052;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.73768 0.00282794 -9.98364e-07 1.5926e-10 -9.45364e-15 136412 5.45577 );
|
|
lowCpCoeffs ( 3.93426 -0.00188887 1.23788e-05 -1.35598e-08 4.85272e-12 136572 5.48361 );
|
|
}
|
|
}
|
|
BOF
|
|
{
|
|
specie
|
|
{
|
|
molWeight 45.8088;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.38825 0.00204714 -7.76007e-07 1.29763e-10 -7.95809e-15 -73193.1 -4.64264 );
|
|
lowCpCoeffs ( 1.88357 0.01661 -2.64256e-05 2.18584e-08 -7.14519e-12 -72424.7 12.3703 );
|
|
}
|
|
}
|
|
C4H8O4_Tetraoxocan
|
|
{
|
|
specie
|
|
{
|
|
molWeight 120.106;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 13.8494 0.0290891 -1.05689e-05 1.71946e-09 -1.03497e-13 -83630.2 -52.0173 );
|
|
lowCpCoeffs ( 4.99012 0.00732282 0.00011691 -1.5864e-07 6.34023e-11 -78992.2 4.78394 );
|
|
}
|
|
}
|
|
HNO+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 31.0135;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 3.32865 0.00327982 -1.1797e-06 1.90466e-10 -1.13982e-14 130605 6.89923 );
|
|
lowCpCoeffs ( 3.95013 -0.000932993 7.00686e-06 -6.22949e-09 1.81333e-12 130601 4.40958 );
|
|
}
|
|
}
|
|
Fe2O3(S)_Solid-A
|
|
{
|
|
specie
|
|
{
|
|
molWeight 159.692;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 960;
|
|
Tcommon 960;
|
|
highCpCoeffs 7 { 0 };
|
|
lowCpCoeffs ( 0.152218 0.0670757 -0.000112861 9.93357e-08 -3.27581e-11 -101344 -6.15025 );
|
|
}
|
|
}
|
|
CH3NO__CH2=N-OH
|
|
{
|
|
specie
|
|
{
|
|
molWeight 45.0412;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.40781 0.00929482 -3.23171e-06 5.03362e-10 -2.92822e-14 -250.712 -4.0821 );
|
|
lowCpCoeffs ( 3.2875 7.43413e-06 4.28079e-05 -5.73648e-08 2.3207e-11 986.54 10.3124 );
|
|
}
|
|
}
|
|
C10H15_RADICAL
|
|
{
|
|
specie
|
|
{
|
|
molWeight 135.231;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 17.175 0.0500688 -1.80895e-05 2.932e-09 -1.76026e-13 1103.45 -76.7085 );
|
|
lowCpCoeffs ( 4.09402 -0.0132979 0.00028252 -3.69512e-07 1.48106e-10 9119.23 13.7914 );
|
|
}
|
|
}
|
|
C5H4OH_Cyclo-2,4
|
|
{
|
|
specie
|
|
{
|
|
molWeight 81.095;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 13.2736 0.0153094 -5.50115e-06 8.88635e-10 -5.32325e-14 2270.76 -45.4767 );
|
|
lowCpCoeffs ( -1.74079 0.0505423 -1.59659e-05 -2.73894e-08 1.8471e-11 6521.57 33.0332 );
|
|
}
|
|
}
|
|
C6H13__2M-1yl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 85.1705;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 13.6085 0.0339147 -1.21615e-05 1.95675e-09 -1.16758e-13 -2568.37 -42.2106 );
|
|
lowCpCoeffs ( 6.32753 0.0229433 7.00369e-05 -1.05251e-07 4.31449e-11 948.443 2.87732 );
|
|
}
|
|
}
|
|
N2H3-_Hydrazine
|
|
{
|
|
specie
|
|
{
|
|
molWeight 31.0379;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.31819 0.00749659 -2.63766e-06 4.19637e-10 -2.48576e-14 28168 1.33094 );
|
|
lowCpCoeffs ( 3.16672 0.00758922 3.22598e-06 -7.49041e-09 3.08039e-12 28675.1 8.12099 );
|
|
}
|
|
}
|
|
C3H2(3)_H2C*-CC*
|
|
{
|
|
specie
|
|
{
|
|
molWeight 38.0494;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.67325 0.00557729 -1.9918e-06 3.20289e-10 -1.91216e-14 75757.1 -9.72894 );
|
|
lowCpCoeffs ( 2.43417 0.0173013 -1.18294e-05 1.02756e-09 1.62626e-12 76907.5 12.1012 );
|
|
}
|
|
}
|
|
CH_excited_A2DEL
|
|
{
|
|
specie
|
|
{
|
|
molWeight 13.0191;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.78221 0.00147247 -4.63436e-07 7.32736e-11 -4.19705e-15 104547 5.17421 );
|
|
lowCpCoeffs ( 3.4725 0.000426444 -1.95182e-06 3.51755e-09 -1.60436e-12 104335 1.448 );
|
|
}
|
|
}
|
|
C4H5N_Cy-C3H5-CN
|
|
{
|
|
specie
|
|
{
|
|
molWeight 67.0911;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 9.60415 0.0164052 -5.90335e-06 9.54135e-10 -5.7166e-14 17597.5 -26.4409 );
|
|
lowCpCoeffs ( 2.25946 0.0166432 4.50396e-05 -7.61575e-08 3.32183e-11 20465 15.97 );
|
|
}
|
|
}
|
|
K2CO3
|
|
{
|
|
specie
|
|
{
|
|
molWeight 138.213;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.5928 0.00345702 -1.34631e-06 2.29017e-10 -1.42083e-14 -109278 -32.434 );
|
|
lowCpCoeffs ( 5.12282 0.0258489 -2.58967e-05 1.13811e-08 -1.53781e-12 -107304 5.71377 );
|
|
}
|
|
}
|
|
C6Cl6_Hexachloro
|
|
{
|
|
specie
|
|
{
|
|
molWeight 284.785;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 25.5228 0.0086 -3.34909e-06 5.69712e-10 -3.5346e-14 -14420.7 -98.1782 );
|
|
lowCpCoeffs ( 3.81596 0.0854917 -0.000115029 7.95786e-08 -2.25493e-11 -9182.61 10.0077 );
|
|
}
|
|
}
|
|
BrO3
|
|
{
|
|
specie
|
|
{
|
|
molWeight 127.899;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.69236 0.00135841 -5.36469e-07 9.20768e-11 -5.74737e-15 23616 -16.4447 );
|
|
lowCpCoeffs ( 1.49818 0.030408 -4.72007e-05 3.49687e-08 -1.00736e-11 25134.5 18.4248 );
|
|
}
|
|
}
|
|
C8H10_1,4-dimeth
|
|
{
|
|
specie
|
|
{
|
|
molWeight 106.169;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 14.4578 0.0330377 -1.19949e-05 1.9503e-09 -1.17337e-13 -5409.96 -55.842 );
|
|
lowCpCoeffs ( 1.26946 0.0255983 0.000100236 -1.54616e-07 6.48457e-11 236.707 22.5319 );
|
|
}
|
|
}
|
|
HO3+_equil__HOOO
|
|
{
|
|
specie
|
|
{
|
|
molWeight 49.0056;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.65929 0.0038238 -1.36723e-06 2.20213e-10 -1.31675e-14 126290 -4.00919 );
|
|
lowCpCoeffs ( 2.10504 0.0144861 -1.33231e-05 6.04303e-09 -9.8817e-13 127238 14.1611 );
|
|
}
|
|
}
|
|
OH-
|
|
{
|
|
specie
|
|
{
|
|
molWeight 17.0079;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.80024 0.00113381 -2.99666e-07 4.01911e-11 -1.78989e-15 -18253.5 4.69395 );
|
|
lowCpCoeffs ( 3.43127 0.000631147 -1.92914e-06 2.40619e-09 -8.66679e-13 -18508.6 1.07991 );
|
|
}
|
|
}
|
|
C6H5NH2(L)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 93.1294;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 267.13;
|
|
Thigh 460;
|
|
Tcommon 267.13;
|
|
highCpCoeffs 7 { 0 };
|
|
lowCpCoeffs ( 47.6545 -0.311868 0.00130586 -2.1904e-06 1.31396e-09 -4386.71 -196.839 );
|
|
}
|
|
}
|
|
CH2O+_Fornald_cati
|
|
{
|
|
specie
|
|
{
|
|
molWeight 30.0259;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.02962 0.005476 -2.00459e-06 3.2757e-10 -1.97713e-14 112391 2.08261 );
|
|
lowCpCoeffs ( 2.99008 0.00405957 7.18536e-06 -1.01674e-08 3.74118e-12 112947 8.64302 );
|
|
}
|
|
}
|
|
C12H6Cl2O
|
|
{
|
|
specie
|
|
{
|
|
molWeight 237.087;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 28.1579 0.0303233 -1.11703e-05 1.8347e-09 -1.11185e-13 -11830.7 -122.613 );
|
|
lowCpCoeffs ( -0.221247 0.0828615 5.27378e-06 -8.18594e-08 4.29796e-11 -2896.67 29.7876 );
|
|
}
|
|
}
|
|
CD3NO2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 64.0589;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.82523 0.00935167 -3.53835e-06 5.9099e-10 -3.62227e-14 -11306.8 -20.8805 );
|
|
lowCpCoeffs ( 2.37203 0.0142408 2.16287e-05 -4.0934e-08 1.78857e-11 -8890.33 15.5851 );
|
|
}
|
|
}
|
|
DF
|
|
{
|
|
specie
|
|
{
|
|
molWeight 21.0125;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.77042 0.00141795 -4.5502e-07 7.01283e-11 -4.01396e-15 -34036.8 5.59177 );
|
|
lowCpCoeffs ( 3.46345 0.000478235 -1.99346e-06 3.27579e-09 -1.42456e-12 -34264.4 1.79996 );
|
|
}
|
|
}
|
|
C4H4O_Furan
|
|
{
|
|
specie
|
|
{
|
|
molWeight 68.0759;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 9.38935 0.0140291 -5.07755e-06 8.24138e-10 -4.9532e-14 -8619.01 -27.9177 );
|
|
lowCpCoeffs ( 0.847469 0.0131774 5.99736e-05 -9.71563e-08 4.22734e-11 -5304.45 21.4931 );
|
|
}
|
|
}
|
|
C3H4_ALLENE
|
|
{
|
|
specie
|
|
{
|
|
molWeight 40.0653;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.31687 0.0111337 -3.96294e-06 6.35642e-10 -3.78755e-14 20117.5 -10.9958 );
|
|
lowCpCoeffs ( 2.61304 0.0121226 1.85399e-05 -3.45251e-08 1.53351e-11 21541.6 10.2261 );
|
|
}
|
|
}
|
|
C2H6S_(CH3SCH3)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 62.1341;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 6.46634 0.0155897 -5.49135e-06 8.74455e-10 -5.1838e-14 -7349.26 -8.01941 );
|
|
lowCpCoeffs ( 5.28055 0.00244703 4.47526e-05 -5.76668e-08 2.2574e-11 -6229.94 2.04978 );
|
|
}
|
|
}
|
|
CNO__(NCO)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 42.0173;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.08064 0.00237444 -9.07099e-07 1.52287e-10 -9.31009e-15 13578.1 -2.15734 );
|
|
lowCpCoeffs ( 2.77405 0.00924523 -9.91774e-06 6.68461e-09 -2.09521e-12 14237 9.75459 );
|
|
}
|
|
}
|
|
NT3__Tritium_Amo
|
|
{
|
|
specie
|
|
{
|
|
molWeight 157.707;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.3119 0.00538585 -2.01111e-06 3.32925e-10 -2.02743e-14 -10962.4 -1.57126 );
|
|
lowCpCoeffs ( 3.59988 0.000296894 1.6998e-05 -2.04412e-08 7.54565e-12 -10361.9 3.96478 );
|
|
}
|
|
}
|
|
Na2O(L)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 61.979;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 1405;
|
|
Thigh 6000;
|
|
Tcommon 1405;
|
|
highCpCoeffs ( 12.0272 0 0 0 0 -49446.8 -58.4013 );
|
|
lowCpCoeffs 7 { 0 };
|
|
}
|
|
}
|
|
CH2BrCOOH
|
|
{
|
|
specie
|
|
{
|
|
molWeight 138.946;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 10.0461 0.0101588 -3.64524e-06 5.84524e-10 -3.47813e-14 -50194.5 -21.0807 );
|
|
lowCpCoeffs ( 3.28778 0.0229633 -1.48601e-07 -1.95188e-08 1.05258e-11 -48090.2 15.1126 );
|
|
}
|
|
}
|
|
N2O4__O2NNO2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 92.011;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 11.5753 0.00401616 -1.57178e-06 2.68274e-10 -1.66922e-14 -2961.11 -31.9489 );
|
|
lowCpCoeffs ( 3.02002 0.0295904 -3.01343e-05 1.42361e-08 -2.441e-12 -679.239 11.806 );
|
|
}
|
|
}
|
|
C7H9__C5H4(CH3)=
|
|
{
|
|
specie
|
|
{
|
|
molWeight 93.1498;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 13.9246 0.0279287 -9.99837e-06 1.61058e-09 -9.62753e-14 16051.3 -49.3761 );
|
|
lowCpCoeffs ( 1.53652 0.0356732 4.7661e-05 -9.24563e-08 4.09548e-11 20653.9 20.7163 );
|
|
}
|
|
}
|
|
NO2+_cyclo_N(OO)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 46.005;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.35837 0.00165038 -6.39208e-07 1.08352e-10 -6.70614e-15 162271 -2.97338 );
|
|
lowCpCoeffs ( 2.6373 0.00902405 -7.44067e-06 2.20393e-09 4.65664e-14 163038 11.1383 );
|
|
}
|
|
}
|
|
HNO2+_trans_&_eq
|
|
{
|
|
specie
|
|
{
|
|
molWeight 47.0129;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.24761 0.00419307 -1.50046e-06 2.41771e-10 -1.44597e-14 116281 -1.49152 );
|
|
lowCpCoeffs ( 2.40361 0.0112706 -6.80416e-06 6.19823e-10 6.77683e-13 117121 13.4294 );
|
|
}
|
|
}
|
|
C3H3_1-propynyl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 39.0574;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.07602 0.00954327 -3.41355e-06 5.52182e-10 -3.31246e-14 61316.1 -2.15967 );
|
|
lowCpCoeffs ( 4.44068 0.000531925 2.99752e-05 -3.79521e-08 1.47291e-11 62001.1 3.69024 );
|
|
}
|
|
}
|
|
C6H6__1,2-Hexadi
|
|
{
|
|
specie
|
|
{
|
|
molWeight 78.1147;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.8918 0.0187847 -6.75323e-06 1.09104e-09 -6.53558e-14 44377.6 -40.7135 );
|
|
lowCpCoeffs ( 2.2198 0.0393045 -4.49195e-06 -2.49702e-08 1.38867e-11 47760.8 16.5546 );
|
|
}
|
|
}
|
|
PbI3
|
|
{
|
|
specie
|
|
{
|
|
molWeight 587.903;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 9.92779 7.68212e-05 -3.07661e-08 5.32961e-12 -3.34798e-16 -360.146 -7.12646 );
|
|
lowCpCoeffs ( 8.56169 0.00833055 -1.87516e-05 1.85435e-08 -6.7053e-12 -174.186 -1.08625 );
|
|
}
|
|
}
|
|
C5H10O2_Butyrate
|
|
{
|
|
specie
|
|
{
|
|
molWeight 102.134;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 12.4373 0.031537 -1.13054e-05 1.82245e-09 -1.08986e-13 -61581.8 -38.1785 );
|
|
lowCpCoeffs ( 9.05101 -0.00597496 0.0001304 -1.61112e-07 6.20186e-11 -58366.5 -9.34763 );
|
|
}
|
|
}
|
|
N4+_cyclo
|
|
{
|
|
specie
|
|
{
|
|
molWeight 56.0263;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 7.05286 0.00291094 -1.11574e-06 1.87884e-10 -1.15769e-14 214541 -11.2429 );
|
|
lowCpCoeffs ( 3.32597 0.0143909 -1.56797e-05 9.52288e-09 -2.53567e-12 215553 7.82291 );
|
|
}
|
|
}
|
|
C8H7___2,3,5,7_Cy
|
|
{
|
|
specie
|
|
{
|
|
molWeight 103.145;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 15.3803 0.0247279 -8.92569e-06 1.44597e-09 -8.67853e-14 53300.1 -57.5096 );
|
|
lowCpCoeffs ( 0.213756 0.0440391 3.06323e-05 -8.00615e-08 3.7718e-11 58441 25.885 );
|
|
}
|
|
}
|
|
ZrO2(III)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 123.219;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 1445;
|
|
Tcommon 500;
|
|
highCpCoeffs ( -162538 8.22318 0.00108874 0 0 -135380 -42.0307 );
|
|
lowCpCoeffs ( -0.244225 0.0325254 -1.70817e-05 -7.01167e-08 8.21428e-11 -133457 -1.02907 );
|
|
}
|
|
}
|
|
C6H13__2M-4yl
|
|
{
|
|
specie
|
|
{
|
|
molWeight 85.1705;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 13.0099 0.0347426 -1.24789e-05 2.00756e-09 -1.19721e-13 -4203.96 -38.3896 );
|
|
lowCpCoeffs ( 6.3248 0.0255005 5.87383e-05 -9.03289e-08 3.69267e-11 -962.097 2.93991 );
|
|
}
|
|
}
|
|
C2H5OH+_Ethanol+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 46.069;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 7.92588 0.013596 -4.72181e-06 7.44887e-10 -4.38728e-14 90798.3 -16.1681 );
|
|
lowCpCoeffs ( -0.162664 0.0357027 -2.34581e-05 3.1684e-09 2.25076e-12 93014.1 25.5855 );
|
|
}
|
|
}
|
|
C9H18_1-nonene
|
|
{
|
|
specie
|
|
{
|
|
molWeight 126.244;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 5000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 21.8155 0.048037 -1.79392e-05 3.14266e-09 -2.09388e-13 -63091.2 -82.9167 );
|
|
lowCpCoeffs ( 2.62429 0.0718303 1.92495e-05 -7.29311e-08 3.39151e-11 -55999.3 24.0906 );
|
|
}
|
|
}
|
|
S(b)
|
|
{
|
|
specie
|
|
{
|
|
molWeight 32.064;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 368.3;
|
|
Thigh 388.36;
|
|
Tcommon 388.36;
|
|
highCpCoeffs 7 { 0 };
|
|
lowCpCoeffs ( 2.08033 0.00244138 0 0 0 -685.307 -8.60715 );
|
|
}
|
|
}
|
|
Pd+__Paladium__C
|
|
{
|
|
specie
|
|
{
|
|
molWeight 106.399;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 1.9158 0.00104822 -4.22419e-07 6.69895e-11 -3.51397e-15 142174 10.8431 );
|
|
lowCpCoeffs ( 2.45252 0.000421245 -1.32419e-06 1.67916e-09 -6.23667e-13 141972 7.83107 );
|
|
}
|
|
}
|
|
C70_FOOTBALLENE
|
|
{
|
|
specie
|
|
{
|
|
molWeight 840.781;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 106.784 0.101992 -3.95571e-05 6.71117e-09 -4.15613e-13 268424 -599.463 );
|
|
lowCpCoeffs ( -31.3677 0.334848 9.85964e-05 -4.46662e-07 2.20101e-10 313337 148.919 );
|
|
}
|
|
}
|
|
Mg(OH)2
|
|
{
|
|
specie
|
|
{
|
|
molWeight 58.3267;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 9.43697 0.00284514 -8.47912e-07 1.18497e-10 -6.3416e-15 -69319.7 -21.9506 );
|
|
lowCpCoeffs ( 3.21643 0.0397986 -8.05825e-05 7.49853e-08 -2.58715e-11 -68541.4 5.44381 );
|
|
}
|
|
}
|
|
H+
|
|
{
|
|
specie
|
|
{
|
|
molWeight 1.00743;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 2.5 0 0 0 0 184021 -1.14065 );
|
|
lowCpCoeffs ( 2.5 0 0 0 0 184021 -1.14065 );
|
|
}
|
|
}
|
|
CH3Hg
|
|
{
|
|
specie
|
|
{
|
|
molWeight 215.625;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 4.65149 0.00706885 -2.45451e-06 3.8697e-10 -2.27759e-14 20736.9 2.31971 );
|
|
lowCpCoeffs ( 3.28241 0.00511442 1.41088e-05 -2.24935e-08 9.6179e-12 21354 10.6664 );
|
|
}
|
|
}
|
|
C4H7O2_EtAcetat_R
|
|
{
|
|
specie
|
|
{
|
|
molWeight 87.0992;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 11.6984 0.0210249 -7.55757e-06 1.2171e-09 -7.26551e-14 -33837.8 -28.9274 );
|
|
lowCpCoeffs ( 5.38956 0.0182581 4.29217e-05 -6.95887e-08 2.93295e-11 -31151 8.43104 );
|
|
}
|
|
}
|
|
C2H6-_Ethane_ani
|
|
{
|
|
specie
|
|
{
|
|
molWeight 30.0707;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 298.15;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 5.73313 0.0146155 -5.38663e-06 8.84189e-10 -5.35341e-14 -4667.04 -10.0648 );
|
|
lowCpCoeffs ( 1.34657 0.015981 1.2832e-05 -2.35895e-08 9.22263e-12 -2772.88 15.6006 );
|
|
}
|
|
}
|
|
C3H5O2_Propionic
|
|
{
|
|
specie
|
|
{
|
|
molWeight 73.0721;
|
|
}
|
|
thermodynamics
|
|
{
|
|
Tlow 200;
|
|
Thigh 6000;
|
|
Tcommon 1000;
|
|
highCpCoeffs ( 8.63288 0.0164319 -5.93526e-06 9.57617e-10 -5.72283e-14 -29757.4 -15.1354 );
|
|
lowCpCoeffs ( 6.05315 -0.00313867 7.48043e-05 -9.48951e-08 3.72063e-11 -27795.1 4.52064 );
|
|
}
|
|
}
|