diff --git a/etc/thermoData/thermoData b/etc/thermoData/thermoData index 057c9557f..dddc4e85f 100644 --- a/etc/thermoData/thermoData +++ b/etc/thermoData/thermoData @@ -152,7 +152,7 @@ Pb- lowCpCoeffs ( 2.5 0 0 0 0 17762.3 8.23513 ); } } -GeCL4 +GeCl4 { specie { @@ -536,7 +536,7 @@ F2O-__FOF- lowCpCoeffs ( 4.64786 0.0100535 -1.79176e-05 1.47983e-08 -4.6499e-12 -25825.4 3.76539 ); } } -CCL +CCl { specie { @@ -552,7 +552,7 @@ CCL lowCpCoeffs ( 3.76699 -0.00149298 9.61147e-06 -1.27138e-08 5.2737e-12 50911.8 5.66471 ); } } -ALCL+ +AlCl+ { specie { @@ -584,7 +584,7 @@ C20H36O2_EtLinolea lowCpCoeffs ( -1.31454 0.212235 -8.58818e-05 -3.39348e-08 2.87278e-11 -71080.7 58.9753 ); } } -CL2O__Cl-O-Cl +Cl2O__Cl-O-Cl { specie { @@ -616,7 +616,7 @@ C6H8O_3,4DiMeFuran lowCpCoeffs ( 2.41515 0.0320931 4.3306e-05 -8.36935e-08 3.70127e-11 -14574.6 14.9425 ); } } -NH4CLO4(II) +NH4ClO4(II) { specie { @@ -904,7 +904,7 @@ C60 lowCpCoeffs ( -33.5791 0.428444 -0.000317123 4.75463e-08 2.76777e-11 304651 148.329 ); } } -HCL +HCl { specie { @@ -1000,7 +1000,7 @@ HNO2_equil__ATcT lowCpCoeffs ( 3.21416 0.00812778 1.65999e-06 -9.52815e-09 4.87131e-12 -10783.1 9.822 ); } } -FeCL3(L) +FeCl3(L) { specie { @@ -1016,7 +1016,7 @@ FeCL3(L) lowCpCoeffs ( 16.1029 0 0 0 0 -48492 -67.1135 ); } } -C3H2BR2__1,3_Dib +C3H2Br2__1,3_Dib { specie { @@ -1048,7 +1048,7 @@ C4H8N8O8_HMX lowCpCoeffs ( 8.14013 0.0833154 2.72628e-05 -9.98161e-08 4.69226e-11 16398.6 -3.22779 ); } } -SnCL4 +SnCl4 { specie { @@ -1112,7 +1112,7 @@ PS lowCpCoeffs ( 3.4687 0.00449701 -8.42505e-06 7.47111e-09 -2.51772e-12 18049.7 7.36114 ); } } -BCL3 +BCl3 { specie { @@ -1416,7 +1416,7 @@ C2H4O2_HG(O)OCH3 lowCpCoeffs ( 5.96757 -0.00938085 7.07648e-05 -8.29932e-08 3.13523e-11 -44871 0.750341 ); } } -B3O3CL3 +B3O3Cl3 { specie { @@ -1432,7 +1432,7 @@ B3O3CL3 lowCpCoeffs ( 3.59422 0.0505755 -4.66182e-05 1.48922e-08 5.70497e-13 -199700 12.0898 ); } } -C3CL4_PerClAllene +C3Cl4_PerClAllene { specie { @@ -1448,7 +1448,7 @@ C3CL4_PerClAllene lowCpCoeffs ( 2.89989 0.0562603 -9.46435e-05 7.87159e-08 -2.55213e-11 13576.3 15.0009 ); } } -AL2O3(L) +Al2O3(L) { specie { @@ -1592,7 +1592,7 @@ C2Cl3F3_FC-113A lowCpCoeffs ( 2.5428 0.0608765 -8.62331e-05 6.07755e-08 -1.7269e-11 -94117.6 15.9691 ); } } -C12H9CL +C12H9Cl { specie { @@ -1672,7 +1672,7 @@ C8H7_C6H4CH=CH2 lowCpCoeffs ( 1.17831 0.0340766 5.85066e-05 -1.10953e-07 4.95223e-11 46141.5 23.6053 ); } } -MgCLF +MgClF { specie { @@ -1992,7 +1992,7 @@ C4H6__1,2-butadi lowCpCoeffs ( 2.90828 0.0179025 2.61487e-05 -4.81599e-08 2.11296e-11 17592.9 12.3118 ); } } -CuCL +CuCl { specie { @@ -2024,7 +2024,7 @@ SO- lowCpCoeffs ( 3.65351 0.00228026 -2.55566e-06 1.37405e-09 -2.7867e-13 -13915.6 5.50813 ); } } -PbCL2 +PbCl2 { specie { @@ -2168,7 +2168,7 @@ SB(CH3)2 lowCpCoeffs ( 4.74742 0.012719 1.70266e-05 -2.86489e-08 1.20242e-11 15230.4 7.86383 ); } } -BF2CL +BF2Cl { specie { @@ -2248,7 +2248,7 @@ C4H6O2_Crotonic_ac lowCpCoeffs ( 3.40323 0.0269846 2.63698e-05 -5.87467e-08 2.69692e-11 -46024.4 13.1928 ); } } -BOCL +BOCl { specie { @@ -2392,7 +2392,7 @@ C5H11,pentyl lowCpCoeffs ( 7.17405 0.00380923 0.00010438 -1.39635e-07 5.60398e-11 2528.72 -1.18869 ); } } -ALBr2 +AlBr2 { specie { @@ -2472,7 +2472,7 @@ HS2__RRHO lowCpCoeffs ( 2.96324 0.00855502 -1.00388e-05 6.25269e-09 -1.52826e-12 51449.8 11.58 ); } } -AL +Al { specie { @@ -2680,7 +2680,7 @@ PH2- lowCpCoeffs ( 3.95759 -0.000728834 5.13055e-06 -3.73172e-09 8.41295e-13 -2300.28 2.15723 ); } } -C12H5O3CL4_DOH2 +C12H5O3Cl4_DOH2 { specie { @@ -2728,7 +2728,7 @@ C22H44O2_Behenic lowCpCoeffs ( 25.149 -0.0104152 0.000584232 -7.54109e-07 2.97753e-10 -112513 -54.9776 ); } } -AL2 +Al2 { specie { @@ -3064,7 +3064,7 @@ HCNO+_Fulminic_cat lowCpCoeffs ( 1.1113 0.0257273 -3.99372e-05 3.18403e-08 -9.91911e-12 145418 15.4371 ); } } -CH3CL +CH3Cl { specie { @@ -3224,7 +3224,7 @@ C8H18(L)_isooctane lowCpCoeffs ( 17.5199 0.0157484 7.35947e-05 -6.10398e-10 4.70619e-13 -37742.3 -68.3211 ); } } -CBrCL2F___11B1 +CBrCl2F___11B1 { specie { @@ -3464,7 +3464,7 @@ Si+ lowCpCoeffs ( 4.23261 -0.00743109 1.31426e-05 -1.07436e-08 3.34175e-12 148410 -2.74005 ); } } -SiCL4 +SiCl4 { specie { @@ -3512,7 +3512,7 @@ SiO2(b-qz) lowCpCoeffs ( 29.6202 -0.0476273 2.62543e-05 0 0 -122857 -156.169 ); } } -FeCL2(S) +FeCl2(S) { specie { @@ -3624,7 +3624,7 @@ C4H4N2_PYRIMIDINE lowCpCoeffs ( 1.63714 0.0119774 6.83832e-05 -1.0465e-07 4.42186e-11 22212.5 18.6564 ); } } -C3BR3_Allene_Rad. +C3Br3_Allene_Rad. { specie { @@ -3672,7 +3672,7 @@ H2O+ lowCpCoeffs ( 4.02466 -0.00108851 5.13577e-06 -4.40028e-09 1.40727e-12 116896 0.699969 ); } } -Fe2CL6 +Fe2Cl6 { specie { @@ -3720,7 +3720,7 @@ BI2 lowCpCoeffs ( 3.3065 0.0158184 -2.88094e-05 2.45287e-08 -7.96353e-12 27157.1 14.9424 ); } } -C2HCLF_1,1-CLF +C2HClF_1,1-ClF { specie { @@ -3752,7 +3752,7 @@ Mg2F4 lowCpCoeffs ( 1.51049 0.0696575 -0.000139294 1.2747e-07 -4.37228e-11 -209218 16.3106 ); } } -C6H2CL3O_RAD +C6H2Cl3O_RAD { specie { @@ -3816,7 +3816,7 @@ BiF2 lowCpCoeffs ( 3.10494 0.0151822 -2.53454e-05 1.9977e-08 -6.06776e-12 -25510.8 13.5101 ); } } -ALH3(a)_hexagonal +AlH3(a)_hexagonal { specie { @@ -4040,7 +4040,7 @@ C8H12_3,6-Dimeth lowCpCoeffs ( 3.35348 0.0295908 8.59569e-05 -1.33332e-07 5.53072e-11 3491.85 11.6563 ); } } -CCL2F-CHF2 +CCl2F-CHF2 { specie { @@ -4248,7 +4248,7 @@ Ca+ lowCpCoeffs ( 2.5 0 0 0 0 92324.2 5.07768 ); } } -FeCL2 +FeCl2 { specie { @@ -4280,7 +4280,7 @@ C12H8_Acenaphtyl lowCpCoeffs ( -2.14922 0.0589101 6.42492e-05 -1.41294e-07 6.47477e-11 28938 33.6791 ); } } -PF3CL2 +PF3Cl2 { specie { @@ -4328,7 +4328,7 @@ O2_singlet lowCpCoeffs ( 3.78535 -0.00321929 1.12323e-05 -1.17254e-08 4.1766e-12 10292.3 3.2732 ); } } -ALF+ +AlF+ { specie { @@ -4728,7 +4728,7 @@ CO2- lowCpCoeffs ( 2.49677 0.00870769 -4.87281e-06 -4.90572e-10 9.38694e-13 -42687.4 9.97856 ); } } -PCL3 +PCl3 { specie { @@ -4984,7 +4984,7 @@ F2H-____FHF- lowCpCoeffs ( 3.32548 0.00415755 3.33684e-06 -7.76225e-09 3.38752e-12 -87832.1 7.32348 ); } } -C6H3CL3O_TriClPhen +C6H3Cl3O_TriClPhen { specie { @@ -5608,7 +5608,7 @@ C2H2FCl_1,1-FCl lowCpCoeffs ( 0.912416 0.0311142 -3.24491e-05 1.67416e-08 -3.16508e-12 -21292.1 20.903 ); } } -AL(L) +Al(L) { specie { @@ -5784,7 +5784,7 @@ C3F7_CF3CF*CF3_M lowCpCoeffs ( 3.14242 0.0603443 -6.17598e-05 2.7938e-08 -4.02551e-12 -165147 16.6898 ); } } -C12H4CL6O2_BIFENYL +C12H4Cl6O2_BIFENYL { specie { @@ -5832,7 +5832,7 @@ CH2OH+ lowCpCoeffs ( 3.54817 -0.00288791 2.98391e-05 -3.33578e-08 1.20141e-11 85029.7 7.01729 ); } } -PCL2- +PCl2- { specie { @@ -6232,7 +6232,7 @@ C10H20_3-decene- lowCpCoeffs ( 2.73154 0.0788863 2.51642e-05 -8.5251e-08 3.92428e-11 -20689.8 25.7334 ); } } -C3H5Cl__CHCL=CHCH3 +C3H5Cl__CHCl=CHCH3 { specie { @@ -6360,7 +6360,7 @@ C lowCpCoeffs ( 2.55424 -0.000321538 7.33792e-07 -7.32235e-10 2.66521e-13 85442.7 4.53131 ); } } -PbCL3 +PbCl3 { specie { @@ -6584,7 +6584,7 @@ C12H7_Acenaphtynyl lowCpCoeffs ( -2.23704 0.0620074 4.69636e-05 -1.20874e-07 5.68319e-11 60886.8 33.8046 ); } } -C5H3CL3_CY-1,2,4CL +C5H3Cl3_CY-1,2,4Cl { specie { @@ -6616,7 +6616,7 @@ C3D6_Cyclopropan lowCpCoeffs ( -1.18501 0.0361683 -2.53517e-06 -2.83415e-08 1.57552e-11 2767.63 26.5463 ); } } -CL2O2 +Cl2O2 { specie { @@ -6648,7 +6648,7 @@ PH3+ lowCpCoeffs ( 2.49088 0.00917665 -7.25623e-06 4.81735e-09 -1.58795e-12 115032 9.37716 ); } } -MgAL2O4(cr) +MgAl2O4(cr) { specie { @@ -6696,7 +6696,7 @@ NO3 lowCpCoeffs ( 2.17359 0.0104903 1.10473e-05 -2.81562e-08 1.36584e-11 7812.91 14.6022 ); } } -SiCL +SiCl { specie { @@ -6760,7 +6760,7 @@ C6H4O2__O=C6H4=O lowCpCoeffs ( 0.856753 0.0415771 4.09304e-06 -4.07329e-08 2.08924e-11 -16679.3 21.4023 ); } } -C2H3CLO2 +C2H3ClO2 { specie { @@ -6808,7 +6808,7 @@ Hg(L) lowCpCoeffs ( 3.68613 -0.000884371 -2.58545e-06 8.12482e-09 -5.52476e-12 -1050.3 -11.5403 ); } } -C12H4CL5O2_Radic +C12H4Cl5O2_Radic { specie { @@ -6920,7 +6920,7 @@ C4H8O2_Butyricacid lowCpCoeffs ( 6.55569 0.00119881 9.25041e-05 -1.19594e-07 4.69862e-11 -57428.4 3.36227 ); } } -CF3-CHCLF__FC-124 +CF3-CHClF__FC-124 { specie { @@ -6952,7 +6952,7 @@ Ag lowCpCoeffs ( 2.5 0 0 0 0 33520 6.56282 ); } } -ALF2 +AlF2 { specie { @@ -7048,7 +7048,7 @@ C5H10__2MB-3-ene lowCpCoeffs ( 7.22291 -0.00273953 0.000104969 -1.31727e-07 5.12971e-11 -6107.68 -1.8469 ); } } -C2BR5 +C2Br5 { specie { @@ -7080,7 +7080,7 @@ C6H2Cl3O3_BiCy lowCpCoeffs ( 0.82596 0.0897047 -8.89846e-05 3.66349e-08 -3.29896e-12 -36.1541 24.2683 ); } } -CBrCLF2 +CBrClF2 { specie { @@ -7128,7 +7128,7 @@ C8H5_C6H5-CC* lowCpCoeffs ( 1.77838 0.0324194 3.85016e-05 -8.03842e-08 3.6269e-11 76600.4 19.3639 ); } } -COHCL2___Radical +COHCl2___Radical { specie { @@ -7208,7 +7208,7 @@ C12H20O10_Cellobi lowCpCoeffs ( 8.32198 0.0628814 0.000271753 -4.29459e-07 1.80191e-10 -174415 -4.13432 ); } } -C5H7CL +C5H7Cl { specie { @@ -7560,7 +7560,7 @@ CO2_cy__C(OO) lowCpCoeffs ( 3.18456 0.00536293 2.20597e-06 -8.41227e-09 4.16779e-12 21632.5 8.74099 ); } } -PbCL4 +PbCl4 { specie { @@ -7592,7 +7592,7 @@ C20H40O2_etStearat lowCpCoeffs ( -2.70218 0.226825 -8.75531e-05 -4.39254e-08 3.47715e-11 -101728 60.8589 ); } } -PCL +PCl { specie { @@ -7640,7 +7640,7 @@ C2Cl4_Tetrachlor lowCpCoeffs ( 3.11949 0.0449195 -7.36241e-05 5.96895e-08 -1.89904e-11 -4918.58 12.6542 ); } } -ALO- +AlO- { specie { @@ -7752,7 +7752,7 @@ CHF3__FLUOROFORM lowCpCoeffs ( 2.73539 0.00872479 1.74822e-05 -3.21505e-08 1.41695e-11 -84684 12.488 ); } } -BrCL +BrCl { specie { @@ -8184,7 +8184,7 @@ C6H10O5_Levogluco lowCpCoeffs ( 1.02548 0.0539526 5.79178e-05 -1.24491e-07 5.63562e-11 -97953 24.8253 ); } } -PFCL- +PFCl- { specie { @@ -8248,7 +8248,7 @@ s-1-C10H7C*O lowCpCoeffs ( 0.247025 0.0623078 3.25269e-05 -9.98773e-08 4.79264e-11 18078.8 27.46 ); } } -CH2CLF__GC-31 +CH2ClF__GC-31 { specie { @@ -8344,7 +8344,7 @@ C4H8_Cyclobutan lowCpCoeffs ( 3.14397 -0.00504252 0.000120645 -1.5841e-07 6.38394e-11 1919.48 10.6618 ); } } -DCL +DCl { specie { @@ -8584,7 +8584,7 @@ C8H15_1-octenyl- lowCpCoeffs ( 3.9658 0.0500732 4.58634e-05 -9.55246e-08 4.20969e-11 9477.34 19.0962 ); } } -SiCL3 +SiCl3 { specie { @@ -8952,7 +8952,7 @@ Cr7C3(S) lowCpCoeffs ( 1.2648 0.135086 -0.000236887 1.97375e-07 -6.14407e-11 -23973 -14.4012 ); } } -FeCL +FeCl { specie { @@ -9064,7 +9064,7 @@ C6H7+_C5H4-1-CH3 lowCpCoeffs ( -1.46109 0.0501602 -1.7565e-05 -1.40099e-08 9.74331e-12 119212 31.9146 ); } } -PFCL2 +PFCl2 { specie { @@ -9176,7 +9176,7 @@ SB(s) lowCpCoeffs ( 2.12274 0.00603818 -1.41051e-05 1.52518e-08 -5.38507e-12 -804.253 -7.91696 ); } } -CCLF2 +CClF2 { specie { @@ -9528,7 +9528,7 @@ NO2+ lowCpCoeffs ( 3.56214 0.00343629 -1.19401e-07 -1.31592e-09 5.01139e-13 114780 7.19236 ); } } -C2H3CL +C2H3Cl { specie { @@ -9576,7 +9576,7 @@ Fe(CO)5 lowCpCoeffs ( 1.32844 0.114541 -0.00022444 2.11015e-07 -7.45587e-11 -91425.7 19.3738 ); } } -CHCLF +CHClF { specie { @@ -9768,7 +9768,7 @@ Cr3C2(S) lowCpCoeffs ( -1.6814 0.0744936 -0.00012215 9.39506e-08 -2.71337e-11 -12169 2.29813 ); } } -PCL5 +PCl5 { specie { @@ -9832,7 +9832,7 @@ C6H5NO_Nitrosobe lowCpCoeffs ( 1.68039 0.0292539 5.20478e-05 -9.72307e-08 4.29288e-11 21733.6 20.1972 ); } } -CCLF3___FC-13 +CClF3___FC-13 { specie { @@ -9992,7 +9992,7 @@ C10H8__AZULENE lowCpCoeffs ( -0.627409 0.0405369 8.4064e-05 -1.5093e-07 6.63559e-11 31574.8 30.3043 ); } } -PF2CL3 +PF2Cl3 { specie { @@ -10024,7 +10024,7 @@ C8_linear_triplet lowCpCoeffs ( 3.14179 0.0514027 -7.82216e-05 6.51159e-08 -2.18045e-11 179419 5.9977 ); } } -CCL3O* +CCl3O* { specie { @@ -10088,7 +10088,7 @@ C3H6O2_EthylFormat lowCpCoeffs ( 5.59041 0.00242724 6.61618e-05 -8.61264e-08 3.38174e-11 -47569.9 4.84087 ); } } -C6HCL3OH__3-YL_RAD +C6HCl3OH__3-YL_RAD { specie { @@ -10136,7 +10136,7 @@ CCl3 lowCpCoeffs ( 2.66358 0.0271296 -4.42403e-05 3.46851e-08 -1.05867e-11 6882.02 14.1173 ); } } -GeCL3 +GeCl3 { specie { @@ -10168,7 +10168,7 @@ C14H6N6O12_HNS lowCpCoeffs ( 7.35142 0.152248 -3.6908e-06 -1.32914e-07 7.04139e-11 19976 6.96546 ); } } -SiHCL3 +SiHCl3 { specie { @@ -10456,7 +10456,7 @@ C2H2_acetylene lowCpCoeffs ( 0.80868 0.0233616 -3.55172e-05 2.80153e-08 -8.50075e-12 26429 13.9397 ); } } -ALF3 +AlF3 { specie { @@ -10952,7 +10952,7 @@ C2H2O2__HOCCOH lowCpCoeffs ( 4.39325 0.0178016 -1.81564e-05 1.11665e-08 -2.9637e-12 -5323.32 9.51277 ); } } -C2HCLF2-1,1 +C2HClF2-1,1 { specie { @@ -10968,7 +10968,7 @@ C2HCLF2-1,1 lowCpCoeffs ( 2.04804 0.0295909 -2.80654e-05 1.12979e-08 -1.01686e-12 -41870.5 17.0867 ); } } -ClO2___CLOO*___H +ClO2___ClOO*___H { specie { @@ -10984,7 +10984,7 @@ ClO2___CLOO*___H lowCpCoeffs ( 4.26695 0.00747999 -1.15233e-05 9.93421e-09 -3.48897e-12 10707.3 7.19227 ); } } -SO2CL2 +SO2Cl2 { specie { @@ -11496,7 +11496,7 @@ C5H8O2_MeCrotanoat lowCpCoeffs ( 5.79381 0.0245644 3.60443e-05 -6.23879e-08 2.61793e-11 -44636.7 4.57237 ); } } -PFCL4 +PFCl4 { specie { @@ -11992,7 +11992,7 @@ D2O2 lowCpCoeffs ( 3.99336 0.00303683 1.02968e-05 -1.60577e-08 6.83692e-12 -18743.3 5.12865 ); } } -CHCL=CH* +CHCl=CH* { specie { @@ -12104,7 +12104,7 @@ C4H4__1-butene-3 lowCpCoeffs ( 1.37369 0.0288801 -1.46864e-05 -3.91045e-09 4.78134e-12 33063.3 17.5941 ); } } -HCLO2 +HClO2 { specie { @@ -12200,7 +12200,7 @@ O+ lowCpCoeffs ( 2.5 0 0 0 0 187935 4.39338 ); } } -C12H5CL4O3_Rad +C12H5Cl4O3_Rad { specie { @@ -12264,7 +12264,7 @@ C2H5O_CH3CH*OH lowCpCoeffs ( 4.22283 0.00512175 3.48387e-05 -4.91944e-08 2.01184e-11 -8356.22 8.01676 ); } } -C3H3Cl_3CyCLPropen +C3H3Cl_3CyClPropen { specie { @@ -12312,7 +12312,7 @@ BH lowCpCoeffs ( 3.54452 -0.000231822 -1.32913e-07 2.13394e-09 -1.32335e-12 52920.3 0.530536 ); } } -B2CL4 +B2Cl4 { specie { @@ -12664,7 +12664,7 @@ C4H6O2_Diacetyl lowCpCoeffs ( 5.68608 0.0155041 3.82144e-05 -5.99463e-08 2.47932e-11 -41762.7 4.02905 ); } } -AL2O2 +Al2O2 { specie { @@ -12760,7 +12760,7 @@ Cr(OH)6 lowCpCoeffs ( -5.65718 0.136404 -0.000222736 1.74482e-07 -5.23661e-11 -125010 44.361 ); } } -MgCL+ +MgCl+ { specie { @@ -12872,7 +12872,7 @@ SbCl_singlet lowCpCoeffs ( 2.4133 0.0128929 -2.44407e-05 1.98759e-08 -5.99572e-12 20273.6 13.1774 ); } } -C2HBR4_1,1,1,2 +C2HBr4_1,1,1,2 { specie { @@ -12984,7 +12984,7 @@ C2H5O-__Ethoxy_a lowCpCoeffs ( 3.88372 0.00362649 3.51129e-05 -4.19768e-08 1.49671e-11 -23727.9 7.57799 ); } } -C12H4CL5O2_2p,4, +C12H4Cl5O2_2p,4, { specie { @@ -13144,7 +13144,7 @@ C5H11,t-pentyl lowCpCoeffs ( 6.44629 -0.00954232 0.000137892 -1.69242e-07 6.53098e-11 1508.39 5.43062 ); } } -PCL2 +PCl2 { specie { @@ -13464,7 +13464,7 @@ C6H lowCpCoeffs ( 0.905835 0.0607761 -0.000112134 1.02799e-07 -3.57814e-11 118105 17.5981 ); } } -C2CL3_RAD +C2Cl3_RAD { specie { @@ -13512,7 +13512,7 @@ CH2Br-CH2Br lowCpCoeffs ( 4.62116 0.00941442 3.26665e-05 -5.17217e-08 2.19246e-11 -6503.17 9.40527 ); } } -ALH2 +AlH2 { specie { @@ -14184,7 +14184,7 @@ C2H3O_Oxyrane_Rad lowCpCoeffs ( 3.58349 -0.00602276 6.32427e-05 -8.18541e-08 3.30445e-11 18568.1 9.59726 ); } } -S2CL +S2Cl { specie { @@ -14232,7 +14232,7 @@ NOH+_cation lowCpCoeffs ( 4.08416 -0.00241926 1.18224e-05 -1.16756e-08 3.86465e-12 138736 4.14404 ); } } -C3H2CL2__1,2_Dic +C3H2Cl2__1,2_Dic { specie { @@ -14344,7 +14344,7 @@ C2HF2__CHF=CF(E) lowCpCoeffs ( 3.0869 0.0160213 -7.49407e-06 -3.65235e-09 3.19176e-12 -6672.08 11.5974 ); } } -AL2O3(a) +Al2O3(a) { specie { @@ -14776,7 +14776,7 @@ Fe lowCpCoeffs ( 1.70744 0.0106339 -2.76118e-05 2.80918e-08 -1.0122e-11 49184.4 9.80811 ); } } -C2BR +C2Br { specie { @@ -14904,7 +14904,7 @@ s-1,5-C6H4__trans lowCpCoeffs ( 0.221633 0.0581529 -7.13934e-05 4.76726e-08 -1.28753e-11 60806.5 22.325 ); } } -CHBR +CHBr { specie { @@ -15048,7 +15048,7 @@ PO3 lowCpCoeffs ( 4.76937 0.00784394 3.34335e-06 -1.31052e-08 6.59556e-12 -55973.8 4.98978 ); } } -PF4CL +PF4Cl { specie { @@ -15288,7 +15288,7 @@ C32H13_OVALENYL lowCpCoeffs ( -9.14252 0.178117 4.87162e-05 -2.22438e-07 1.09692e-10 74571.6 65.7092 ); } } -C2CL2 +C2Cl2 { specie { @@ -15576,7 +15576,7 @@ ClO3___Chlorate lowCpCoeffs ( 1.54804 0.0255914 -3.27199e-05 1.9253e-08 -4.18676e-12 20946.5 18.7937 ); } } -AL(cr) +Al(cr) { specie { @@ -15656,7 +15656,7 @@ Mo(cr) lowCpCoeffs ( 1.32884 0.00982554 -2.1093e-05 2.0951e-08 -7.60703e-12 -684.365 -6.29287 ); } } -AL2O2+ +Al2O2+ { specie { @@ -15704,7 +15704,7 @@ NH2F lowCpCoeffs ( 4.43076 -0.00700448 3.24294e-05 -3.55242e-08 1.30599e-11 -10252.6 3.29678 ); } } -C2H4Cl_betaCLEthyl +C2H4Cl_betaClEthyl { specie { @@ -15784,7 +15784,7 @@ CO+ lowCpCoeffs ( 3.77062 -0.00201773 4.61082e-06 -2.99175e-09 6.06065e-13 149007 3.3813 ); } } -CH2CL2 +CH2Cl2 { specie { @@ -15896,7 +15896,7 @@ C12H8O2 lowCpCoeffs ( -1.48215 0.0751205 3.87198e-05 -1.19145e-07 5.69743e-11 -9056.11 32.9719 ); } } -CBRF3_FREON_1301 +CBrF3_FREON_1301 { specie { @@ -15976,7 +15976,7 @@ C18H34_1-Octadecy lowCpCoeffs ( -11.646 0.27397 -0.000297994 2.01809e-07 -5.91668e-11 -21318 96.8119 ); } } -C2HCL +C2HCl { specie { @@ -16136,7 +16136,7 @@ Ge2 lowCpCoeffs ( 1.86915 0.0207355 -4.51129e-05 4.06077e-08 -1.32217e-11 55553.6 15.6846 ); } } -C2H4O2CL2 +C2H4O2Cl2 { specie { @@ -16200,7 +16200,7 @@ C12H8Cl2O2_6,6-( lowCpCoeffs ( -5.72669 0.155871 -0.000158005 7.90551e-08 -1.57801e-11 -31851.6 56.0168 ); } } -AL(OH)2 +Al(OH)2 { specie { @@ -16216,7 +16216,7 @@ AL(OH)2 lowCpCoeffs ( 3.1217 0.0208986 -2.3495e-05 1.23528e-08 -2.11959e-12 -62732.6 11.1282 ); } } -CF2H-CCLF2_FC-124A +CF2H-CClF2_FC-124A { specie { @@ -16408,7 +16408,7 @@ C4H lowCpCoeffs ( 0.938093 0.038592 -6.86755e-05 6.13265e-08 -2.08966e-11 92312.3 16.501 ); } } -CLCLO +Cl2O { specie { @@ -16504,7 +16504,7 @@ C7H10_cyC5H9-CCH lowCpCoeffs ( 2.86273 0.0238049 8.02798e-05 -1.24667e-07 5.24739e-11 17577.4 16.0168 ); } } -ClO2___OCLO___HF +ClO2___OClO___HF { specie { @@ -16584,7 +16584,7 @@ NH2OH+ lowCpCoeffs ( 3.72525 0.00417577 9.81141e-06 -1.38336e-08 5.37208e-12 101394 6.30909 ); } } -MgCL +MgCl { specie { @@ -16824,7 +16824,7 @@ PH+ lowCpCoeffs ( 4.69912 -0.0050137 8.44515e-06 -5.45911e-09 1.2742e-12 146096 -1.93635 ); } } -C2HCL4_CHCl2-CCL2 +C2HCl4_CHCl2-CCl2 { specie { @@ -17256,7 +17256,7 @@ BF2 lowCpCoeffs ( 3.76866 0.00206633 8.29846e-06 -1.31415e-08 5.49423e-12 -61332.3 7.37107 ); } } -NH4CL(II) +NH4Cl(II) { specie { @@ -17304,7 +17304,7 @@ C7H5NO_Benzoxazole lowCpCoeffs ( -0.249438 0.0355983 5.64045e-05 -1.10126e-07 4.93628e-11 1629.13 28.0949 ); } } -Cu3CL3 +Cu3Cl3 { specie { @@ -17944,7 +17944,7 @@ C10H10_3-meIndene lowCpCoeffs ( 1.10114 0.0421733 8.14199e-05 -1.45129e-07 6.32748e-11 18168 22.5602 ); } } -C2H5CLO2 +C2H5ClO2 { specie { @@ -18120,7 +18120,7 @@ MgO(cr) lowCpCoeffs ( 78.7549 -0.528711 0.00124188 -1.22847e-06 4.37279e-10 -81264.3 -328.879 ); } } -C3H3Cl_CH2CL-CCH +C3H3Cl_CH2Cl-CCH { specie { @@ -18184,7 +18184,7 @@ CBr4 lowCpCoeffs ( 5.10359 0.0339593 -6.24045e-05 5.36484e-08 -1.7571e-11 9691.51 1.31944 ); } } -BAO(G) +BaO(G) { specie { @@ -18328,7 +18328,7 @@ NITROPROPYLENE_C lowCpCoeffs ( 3.65176 0.0201896 3.27505e-05 -5.72328e-08 2.41049e-11 -972.583 11.8667 ); } } -BCL +BCl { specie { @@ -18504,7 +18504,7 @@ Br2(cr) lowCpCoeffs ( 9.12519 -0.0826112 0.000699829 -2.40834e-06 3.21096e-09 -3304.08 -30.1719 ); } } -CLO3F +ClO3F { specie { @@ -18632,7 +18632,7 @@ T_Tritium__(g) lowCpCoeffs ( 2.5 -4.39695e-07 2.02543e-09 -2.95668e-12 1.35888e-15 26119.9 1.19728 ); } } -NH4CLO4(I) +NH4ClO4(I) { specie { @@ -18696,7 +18696,7 @@ CNN+ lowCpCoeffs ( 3.93138 0.0075873 -8.55735e-06 5.55474e-09 -1.58157e-12 196345 4.04892 ); } } -C4CL6_Butadiene +C4Cl6_Butadiene { specie { @@ -18760,7 +18760,7 @@ CH5N2__CH2*NHNH2 lowCpCoeffs ( 2.31544 0.0218627 -3.68464e-06 -1.3271e-08 8.00413e-12 30774.4 15.0726 ); } } -PF2CL +PF2Cl { specie { @@ -18920,7 +18920,7 @@ MgF2(cr)I lowCpCoeffs ( 3.15877 0.00196088 0.000105362 -2.77411e-07 2.08833e-10 -136720 -14.3472 ); } } -C6H5CL+_Chlorobe +C6H5Cl+_Chlorobe { specie { @@ -19080,7 +19080,7 @@ CH2=CH-NO2_Nitroe lowCpCoeffs ( 2.75939 0.0170696 2.37368e-05 -4.77983e-08 2.14793e-11 1843.4 14.6556 ); } } -C3HCL3__TriClAllen +C3HCl3__TriClAllen { specie { @@ -19256,7 +19256,7 @@ C4H6O_H3CCH2CH=C lowCpCoeffs ( 3.2361 0.0232109 2.16181e-05 -4.71002e-08 2.13586e-11 -12724.9 12.9611 ); } } -SCL2 +SCl2 { specie { @@ -19400,7 +19400,7 @@ C4H8O_2-Butanone lowCpCoeffs ( 6.61978 0.00851848 5.10322e-05 -6.58433e-08 2.4911e-11 -31525.2 -1.09485 ); } } -C2H4Cl_alfaCLEthyl +C2H4Cl_alfaClEthyl { specie { @@ -19480,7 +19480,7 @@ MgBr2(L) lowCpCoeffs ( 12.0272 0 0 0 0 -63633.8 -52.4664 ); } } -BCL+ +BCl+ { specie { @@ -19512,7 +19512,7 @@ CHNH2-__anion__H lowCpCoeffs ( 1.8202 0.0153201 -1.1192e-05 4.57191e-09 -7.44802e-13 40235.2 14.2819 ); } } -CHBrCL2__FC-20B1 +CHBrCl2__FC-20B1 { specie { @@ -19624,7 +19624,7 @@ CH3N__(H2C=NH) lowCpCoeffs ( 4.79303 -0.0126842 5.69767e-05 -6.34985e-08 2.37023e-11 9413.86 1.10278 ); } } -HALO2 +HAlO2 { specie { @@ -19656,7 +19656,7 @@ HCN lowCpCoeffs ( 2.25901 0.010051 -1.33515e-05 1.0092e-08 -3.0088e-12 14590.3 8.91632 ); } } -ALO2 +AlO2 { specie { @@ -19672,7 +19672,7 @@ ALO2 lowCpCoeffs ( 4.34295 0.00865076 -8.91493e-06 3.12927e-09 9.49015e-14 -6256.26 5.43603 ); } } -HOCL +HOCl { specie { @@ -19752,7 +19752,7 @@ C6H11I_IodocyHexan lowCpCoeffs ( 4.95589 0.00624026 0.00013695 -1.85304e-07 7.45516e-11 -8647.49 9.04456 ); } } -CL- +Cl- { specie { @@ -19832,7 +19832,7 @@ C7H7_Quadri_Base lowCpCoeffs ( -0.865668 0.0202947 0.000109981 -1.75784e-07 7.63992e-11 68615.1 31.45 ); } } -CBRCL3_Bromotric +CBrCl3_Bromotric { specie { @@ -19848,7 +19848,7 @@ CBRCL3_Bromotric lowCpCoeffs ( 2.8408 0.0425731 -7.69558e-05 6.54734e-08 -2.13015e-11 -7238.49 12.5268 ); } } -CCL3F___FC-11 +CCl3F___FC-11 { specie { @@ -20008,7 +20008,7 @@ FeSO4(S) lowCpCoeffs ( 1.36573 0.0529862 -7.03486e-05 4.90952e-08 -1.44139e-11 -113945 -6.31021 ); } } -C2BR4 +C2Br4 { specie { @@ -20056,7 +20056,7 @@ CH3-NH-NH-CH3_Sy lowCpCoeffs ( 5.41669 0.00250625 7.35471e-05 -9.60749e-08 3.79945e-11 10565.4 3.29279 ); } } -DOBR +DOBr { specie { @@ -20120,7 +20120,7 @@ C4__triplet lowCpCoeffs ( 3.68513 0.0184223 -3.11974e-05 2.9645e-08 -1.07298e-11 125759 5.42249 ); } } -SI2H6__Disilane +Si2H6__Disilane { specie { @@ -20168,7 +20168,7 @@ C3H2F3_CF3-CH=CH* lowCpCoeffs ( 0.681987 0.0469264 -4.86401e-05 2.2047e-08 -2.75415e-12 -47231.4 22.9561 ); } } -CL2 +Cl2 { specie { @@ -20184,7 +20184,7 @@ CL2 lowCpCoeffs ( 2.73638 0.00783526 -1.45105e-05 1.25731e-08 -4.13247e-12 -1058.8 9.44557 ); } } -AL2O+ +Al2O+ { specie { @@ -20264,7 +20264,7 @@ COH lowCpCoeffs ( 4.36381 -0.00535204 2.31955e-05 -2.66109e-08 1.02712e-11 25010.9 2.98106 ); } } -C4CL2 +C4Cl2 { specie { @@ -20328,7 +20328,7 @@ C5H10,cyclo- lowCpCoeffs ( 3.70339 -0.0115575 0.000164113 -2.0937e-07 8.31059e-11 -10938.9 11.9773 ); } } -DOCL +DOCl { specie { @@ -20408,7 +20408,7 @@ NO lowCpCoeffs ( 4.2186 -0.00463988 1.10443e-05 -9.34056e-09 2.80555e-12 9845.1 2.28061 ); } } -NO2CL +NO2Cl { specie { @@ -20488,7 +20488,7 @@ C6H9I-3-iodo lowCpCoeffs ( 3.97475 0.0142793 0.000103556 -1.4999e-07 6.192e-11 5835.6 13.0713 ); } } -FeCL3 +FeCl3 { specie { @@ -20536,7 +20536,7 @@ C22H18_(C10H7CH2)2 lowCpCoeffs ( -9.01278 0.205116 -0.000183057 1.10357e-07 -3.44709e-11 28550.4 69.335 ); } } -C2HCL5 +C2HCl5 { specie { @@ -20568,7 +20568,7 @@ C3H3+_CH2=C=CH+ lowCpCoeffs ( 1.5491 0.0233307 -1.70274e-05 4.66368e-09 2.21539e-13 143166 13.7174 ); } } -CCL4 +CCl4 { specie { @@ -20840,7 +20840,7 @@ ZrN(cr) lowCpCoeffs ( -1.60329 0.0435534 -0.000102727 1.12384e-07 -4.61701e-11 -45399.9 4.48755 ); } } -ALF +AlF { specie { @@ -20936,7 +20936,7 @@ MgI2 lowCpCoeffs ( 5.47324 0.0105458 -2.22792e-05 2.12039e-08 -7.48636e-12 -22593.5 4.23281 ); } } -C2CL +C2Cl { specie { @@ -21240,7 +21240,7 @@ CF- lowCpCoeffs ( 2.67417 0.00577946 -7.7641e-06 5.08964e-09 -1.30782e-12 22801.9 8.08085 ); } } -C5H8CL +C5H8Cl { specie { @@ -21352,7 +21352,7 @@ K(cr) lowCpCoeffs ( -2.08951 0.061632 -0.000240732 3.27256e-07 0 -636.098 9.11737 ); } } -ALO2- +AlO2- { specie { @@ -21576,7 +21576,7 @@ C3HCl2OH lowCpCoeffs ( 3.1571 0.0399226 -4.67896e-05 2.89518e-08 -7.27289e-12 -2951.93 14.6502 ); } } -NOCL +NOCl { specie { @@ -21656,7 +21656,7 @@ CBr3__Radical lowCpCoeffs ( 4.24875 0.0227424 -3.912e-05 3.19712e-08 -1.00758e-11 25938.1 10.3538 ); } } -CLF5 +ClF5 { specie { @@ -22040,7 +22040,7 @@ ZrC(cr) lowCpCoeffs ( -1.12575 0.0338354 -6.64955e-05 6.40913e-08 -2.42647e-11 -24347.1 2.77083 ); } } -CCL2F +CCl2F { specie { @@ -22392,7 +22392,7 @@ C3H4N__CH3-CH*-CN lowCpCoeffs ( 2.90886 0.021025 -3.11711e-06 -1.06743e-08 5.98989e-12 25029.2 12.2021 ); } } -PFCL +PFCl { specie { @@ -22520,7 +22520,7 @@ C3H6O3_Trioxane lowCpCoeffs ( 3.55244 0.00170629 9.91147e-05 -1.31999e-07 5.26422e-11 -59030.2 10.6185 ); } } -ALH +AlH { specie { @@ -22760,7 +22760,7 @@ D lowCpCoeffs ( 2.5 0 0 0 0 25921.3 0.591714 ); } } -C2CL2F4_CF3CFCL2 +C2Cl2F4_CF3CFCl2 { specie { @@ -22808,7 +22808,7 @@ SbCl2 lowCpCoeffs ( 3.26046 0.00813469 -5.31504e-06 -1.00842e-09 1.59478e-12 -13161.4 13.0106 ); } } -AL2O3 +Al2O3 { specie { @@ -22936,7 +22936,7 @@ C3H6_propylene lowCpCoeffs ( 3.83464 0.00329079 5.05228e-05 -6.66251e-08 2.63707e-11 788.717 7.53408 ); } } -FeCL3(s) +FeCl3(s) { specie { @@ -23096,7 +23096,7 @@ HNNH-__trans lowCpCoeffs ( 3.03932 0.00358025 8.30143e-06 -1.1908e-08 4.60611e-12 29701.1 8.63197 ); } } -SbCL5 +SbCl5 { specie { @@ -23240,7 +23240,7 @@ C9H18O6_TATP lowCpCoeffs ( -1.19327 0.16895 -0.000171505 1.01467e-07 -2.60451e-11 -53390.5 23.2901 ); } } -C12H5CL4O2_RAD +C12H5Cl4O2_RAD { specie { @@ -23448,7 +23448,7 @@ P2 lowCpCoeffs ( 2.9606 0.00385561 -2.87398e-06 -3.19976e-10 8.10023e-13 16290.7 8.34523 ); } } -CBR3CL__TriBromo +CBr3Cl__TriBromo { specie { @@ -23480,7 +23480,7 @@ C6H3_CH2=C=C=C=C=C lowCpCoeffs ( 1.50089 0.0545902 -7.88221e-05 6.27969e-08 -2.00769e-11 84913.4 17.6237 ); } } -CLF3 +ClF3 { specie { @@ -23592,7 +23592,7 @@ C3H4O2_AcrylAcid lowCpCoeffs ( 1.24227 0.0300699 -1.48207e-06 -2.42738e-08 1.33122e-11 -40866.8 21.9243 ); } } -CHFCLBr +CHFClBr { specie { @@ -23608,7 +23608,7 @@ CHFCLBr lowCpCoeffs ( 2.84647 0.0204936 -1.70059e-05 4.11372e-09 9.31157e-13 -29280.4 15.0637 ); } } -ALCL +AlCl { specie { @@ -23704,7 +23704,7 @@ CH3C(CH3)2CH3 lowCpCoeffs ( 3.56479 0.0290185 5.00307e-05 -8.66302e-08 3.72524e-11 -22877.4 6.73829 ); } } -GeCL2____triplet +GeCl2____triplet { specie { @@ -23720,7 +23720,7 @@ GeCL2____triplet lowCpCoeffs ( 4.11513 0.0153508 -3.27832e-05 3.13345e-08 -1.10726e-11 10627.5 10.2028 ); } } -CL2O7 +Cl2O7 { specie { @@ -23768,7 +23768,7 @@ C8H7N__o-ToluoNitr lowCpCoeffs ( 2.05214 0.038168 4.22551e-05 -8.69955e-08 3.87533e-11 20059 19.5286 ); } } -CLNC_biradical +ClNC_biradical { specie { @@ -23832,7 +23832,7 @@ NITRO-PENTANE lowCpCoeffs ( 4.00704 0.0229727 0.000104023 -1.55574e-07 6.44329e-11 -22634.2 13.9587 ); } } -AR +Ar { specie { @@ -23928,7 +23928,7 @@ Na2O(a) lowCpCoeffs 7 { 0 }; } } -FeCL2(L) +FeCl2(L) { specie { @@ -23960,7 +23960,7 @@ Na2O(c) lowCpCoeffs ( 2.1367 0.0391996 -8.50796e-05 8.70574e-08 -3.22937e-11 -51645.5 -11.76 ); } } -CF3-CHCL2__HF123 +CF3-CHCl2__HF123 { specie { @@ -24088,7 +24088,7 @@ C3H7_i-propyl lowCpCoeffs ( 5.47421 -0.00842537 8.04608e-05 -9.49288e-08 3.59831e-11 9049.39 3.40542 ); } } -ALOH +AlOH { specie { @@ -24280,7 +24280,7 @@ C8H18,n-octane lowCpCoeffs ( 12.5245 -0.0101019 0.000221993 -2.84864e-07 1.1241e-10 -29843.4 -19.711 ); } } -C12H6CL4O2 +C12H6Cl4O2 { specie { @@ -24408,7 +24408,7 @@ C12H10_biphenyl lowCpCoeffs ( 0.1946 0.053526 8.55001e-05 -1.63904e-07 7.29976e-11 19002.1 27.2149 ); } } -NH4CL(III) +NH4Cl(III) { specie { @@ -24424,7 +24424,7 @@ NH4CL(III) lowCpCoeffs ( 1.70591 0.0307824 -4.40956e-05 4.81013e-08 -1.91059e-11 -38502.2 -3.73732 ); } } -SO2FCL +SO2FCl { specie { @@ -24632,7 +24632,7 @@ C7H5(NO2)3_(TNT) lowCpCoeffs ( 3.19573 0.086222 -2.31687e-05 -4.31208e-08 2.63453e-11 -1609.11 15.4068 ); } } -C2H5CL +C2H5Cl { specie { @@ -24696,7 +24696,7 @@ CH3C lowCpCoeffs ( 3.59147 -6.65568e-05 2.69433e-05 -3.438e-08 1.35235e-11 59929.5 5.96528 ); } } -CH2CL +CH2Cl { specie { @@ -24856,7 +24856,7 @@ NCN lowCpCoeffs ( 2.79808 0.0100009 -9.59242e-06 4.75566e-09 -1.04349e-12 53857.5 8.6213 ); } } -CHBR2 +CHBr2 { specie { @@ -24904,7 +24904,7 @@ CH3-_anion lowCpCoeffs ( 4.35455 -0.00541267 2.17109e-05 -1.94567e-08 5.95104e-12 15405.2 -0.727196 ); } } -MgAL2O4(L) +MgAl2O4(L) { specie { @@ -25096,7 +25096,7 @@ C12H9,o-bipheny lowCpCoeffs ( 0.407668 0.0542795 7.12516e-05 -1.44404e-07 6.48498e-11 48535.2 28.1981 ); } } -CLF +ClF { specie { @@ -25160,7 +25160,7 @@ N2O+ lowCpCoeffs ( 3.28691 0.00740222 -4.86664e-06 7.32928e-10 2.98234e-13 159103 7.40137 ); } } -CLCN +ClCN { specie { @@ -25688,7 +25688,7 @@ C3H3Cl_Chloro-Al lowCpCoeffs ( 2.17406 0.0233296 -8.27347e-06 -8.72361e-09 6.26711e-12 19487 15.7635 ); } } -BFCL +BFCl { specie { @@ -25960,7 +25960,7 @@ C2H4F_beta-Fluor lowCpCoeffs ( 4.38589 0.00444185 2.81593e-05 -3.89282e-08 1.56056e-11 -9031.77 6.2837 ); } } -AL(OH)3 +Al(OH)3 { specie { @@ -26024,7 +26024,7 @@ H6F6 lowCpCoeffs ( 4.76645 0.0786031 -0.000121157 9.36149e-08 -2.78945e-11 -221172 12.5468 ); } } -GeCL2____singlet +GeCl2____singlet { specie { @@ -26056,7 +26056,7 @@ C3H6_cyclo- lowCpCoeffs ( 2.83279 -0.00521029 9.29583e-05 -1.22753e-07 4.99191e-11 5195.2 10.8306 ); } } -ALO+ +AlO+ { specie { @@ -26264,7 +26264,7 @@ H2O(L) lowCpCoeffs ( 72.5575 -0.662445 0.00256199 -4.36592e-06 2.78179e-09 -41886.5 -288.28 ); } } -CBr2CLF___11B3 +CBr2ClF___11B3 { specie { @@ -26520,7 +26520,7 @@ N2O3 lowCpCoeffs ( 5.81084 0.0143331 -1.96209e-05 1.73061e-08 -6.46554e-12 8191.84 1.20461 ); } } -CL +Cl { specie { @@ -26536,7 +26536,7 @@ CL lowCpCoeffs ( 2.26062 0.00154154 -6.80284e-07 -1.59973e-09 1.15417e-12 13855.3 6.57021 ); } } -Cl2C=C=CCL(O*) +Cl2C=C=CCl(O*) { specie { @@ -26584,7 +26584,7 @@ CrO lowCpCoeffs ( 3.18819 0.00146295 3.31396e-06 -6.66294e-09 3.11838e-12 21611.6 10.0817 ); } } -ALCL3 +AlCl3 { specie { @@ -26616,7 +26616,7 @@ C4H3_E-1yl_Radical lowCpCoeffs ( 0.554264 0.0386185 -4.70818e-05 3.0624e-08 -7.90588e-12 63797.5 21.0542 ); } } -COCL2 +COCl2 { specie { @@ -27272,7 +27272,7 @@ C4H5__1,3-Butadi lowCpCoeffs ( 2.00881 0.0250341 4.4793e-06 -2.6399e-08 1.34433e-11 36207 15.9914 ); } } -MgCL2(L) +MgCl2(L) { specie { @@ -27320,7 +27320,7 @@ CH3+ lowCpCoeffs ( 4.73044 -0.0086626 3.12269e-05 -3.13569e-08 1.09957e-11 131270 -3.03198 ); } } -ALBr3 +AlBr3 { specie { @@ -27448,7 +27448,7 @@ HPO lowCpCoeffs ( 4.13953 -0.00375644 2.10092e-05 -2.45888e-08 9.33164e-12 -12480.7 5.14556 ); } } -FeOCL(cr) +FeOCl(cr) { specie { @@ -27784,7 +27784,7 @@ CrO3 lowCpCoeffs ( 2.2336 0.0241281 -3.23842e-05 2.06088e-08 -5.05776e-12 -40222.5 13.7496 ); } } -BOCL2 +BOCl2 { specie { @@ -27800,7 +27800,7 @@ BOCL2 lowCpCoeffs ( 2.39602 0.0242258 -3.58262e-05 2.65234e-08 -7.85785e-12 -45009.4 15.654 ); } } -Fe2CL4 +Fe2Cl4 { specie { @@ -28344,7 +28344,7 @@ CD2_Deutherometh lowCpCoeffs ( 3.55503 0.00336947 -3.5028e-06 4.99693e-09 -2.45123e-12 44827.3 3.42741 ); } } -C2H2CL2_1,1- +C2H2Cl2_1,1- { specie { @@ -28360,7 +28360,7 @@ C2H2CL2_1,1- lowCpCoeffs ( 1.09096 0.0338226 -4.14124e-05 2.66328e-08 -6.88458e-12 -1247.49 19.9996 ); } } -BFCL2 +BFCl2 { specie { @@ -28504,7 +28504,7 @@ C3H2(1)_HCC-CH** lowCpCoeffs ( 2.87527 0.0199236 -2.41971e-05 1.66378e-08 -4.69231e-12 96819.2 8.88674 ); } } -HALO +HAlO { specie { @@ -28776,7 +28776,7 @@ C6H7_1,3,5_Linear lowCpCoeffs ( 2.82605 0.0348405 1.31407e-05 -4.6882e-08 2.29961e-11 49458.2 17.0295 ); } } -HCLO4 +HClO4 { specie { @@ -28872,7 +28872,7 @@ N2- lowCpCoeffs ( 3.87906 -0.00316855 8.46825e-06 -7.28826e-09 2.18785e-12 21755.2 3.12725 ); } } -BCL2+ +BCl2+ { specie { @@ -29016,7 +29016,7 @@ NH4NO3_gas lowCpCoeffs ( 4.14853 0.0269825 -9.75933e-06 -6.09907e-09 4.33965e-12 -30074.6 8.49838 ); } } -CL+ +Cl+ { specie { @@ -29128,7 +29128,7 @@ F2O+__FOF+ lowCpCoeffs ( 2.46499 0.0109177 -1.05316e-05 4.05496e-09 -3.04762e-13 154795 13.2086 ); } } -ALF2- +AlF2- { specie { @@ -29320,7 +29320,7 @@ C10H8O__Naphtol lowCpCoeffs ( -2.08768 0.07681 -1.53593e-05 -4.04658e-08 2.3376e-11 -6290.56 34.3331 ); } } -ALH3 +AlH3 { specie { @@ -29384,7 +29384,7 @@ s-1,2,3,5-C6H2Cl4 lowCpCoeffs ( 2.48196 0.0655633 -5.95894e-05 2.22036e-08 -1.43435e-12 -5391.51 16.9276 ); } } -CCL2F2_FREON-12 +CCl2F2_FREON-12 { specie { @@ -29704,7 +29704,7 @@ CH3S_Radical lowCpCoeffs ( 2.56437 0.0115796 -4.5012e-06 -5.02342e-10 6.95253e-13 13370.6 11.2505 ); } } -CHFCL2___FC-21 +CHFCl2___FC-21 { specie { @@ -30200,7 +30200,7 @@ C2H2Br2_trans lowCpCoeffs ( 3.8637 0.016965 -3.41692e-06 -1.08161e-08 6.58651e-12 10083.8 10.913 ); } } -SiCL2 +SiCl2 { specie { @@ -30440,7 +30440,7 @@ C4F8_CY lowCpCoeffs ( -6.40876 0.117788 -0.000157354 1.1578e-07 -3.71123e-11 -184189 56.1863 ); } } -CHCL3_Chloroform +CHCl3_Chloroform { specie { @@ -30584,7 +30584,7 @@ CH3-NH-NH2 lowCpCoeffs ( 3.36546 0.00916487 4.07415e-05 -6.18271e-08 2.62064e-11 11498.2 9.75315 ); } } -SCL +SCl { specie { @@ -31224,7 +31224,7 @@ C24H17 lowCpCoeffs ( -16.409 0.226724 -0.000140015 -2.78751e-09 2.47131e-11 70999.3 110.51 ); } } -BCL2 +BCl2 { specie { @@ -31464,7 +31464,7 @@ CI lowCpCoeffs ( 1.89139 0.0167386 -3.68508e-05 3.50616e-08 -1.22019e-11 67533.2 14.609 ); } } -C12H6CL2O2 +C12H6Cl2O2 { specie { @@ -31512,7 +31512,7 @@ C13H10O__Benzoph lowCpCoeffs ( 2.03306 0.0530785 0.000104699 -1.89967e-07 8.33778e-11 4094.98 22.7448 ); } } -C2H2CL2_Equilibriu +C2H2Cl2_Equilibriu { specie { @@ -31544,7 +31544,7 @@ HNO2+_cis____HF2 lowCpCoeffs ( 2.63706 0.0102578 -5.14296e-06 -5.04116e-10 9.47515e-13 120845 12.4287 ); } } -CBR +CBr { specie { @@ -31624,7 +31624,7 @@ H2Sn(C2H5)2 lowCpCoeffs ( 5.22643 0.0383917 2.00663e-05 -5.18249e-08 2.32704e-11 3442.92 7.61235 ); } } -AL2O3(b) +Al2O3(b) { specie { @@ -31672,7 +31672,7 @@ MgSiO3(III) lowCpCoeffs 7 { 0 }; } } -C5H7CL2 +C5H7Cl2 { specie { @@ -31736,7 +31736,7 @@ HCCNO2 lowCpCoeffs ( 1.34403 0.0333183 -3.93939e-05 2.41125e-08 -5.90505e-12 31935.8 18.7891 ); } } -S2CL2 +S2Cl2 { specie { @@ -31944,7 +31944,7 @@ C4H9O_DiEthyl_Et lowCpCoeffs ( 7.25386 -0.000750391 0.000104998 -1.35171e-07 5.26869e-11 -8118.19 -0.573033 ); } } -C2BR6 +C2Br6 { specie { @@ -32248,7 +32248,7 @@ C4H8O2_DIOXANE lowCpCoeffs ( 4.81265 -0.00385996 0.000125372 -1.60862e-07 6.33257e-11 -37571.3 6.04153 ); } } -ALO +AlO { specie { @@ -32392,7 +32392,7 @@ NO2- lowCpCoeffs ( 3.09784 0.00370486 5.92941e-06 -1.09497e-08 4.62722e-12 -24155.4 9.48237 ); } } -C2HBR4_1,1,2,2 +C2HBr4_1,1,2,2 { specie { @@ -32424,7 +32424,7 @@ F2+ lowCpCoeffs ( 3.96417 -0.000599836 4.03663e-06 -4.74261e-09 1.76772e-12 181724 2.80862 ); } } -CF2CL-CHCLF_123a +CF2Cl-CHClF_123a { specie { @@ -32456,7 +32456,7 @@ COOH lowCpCoeffs ( 2.92208 0.00762454 3.29884e-06 -1.07135e-08 5.11587e-12 -23028.2 11.2926 ); } } -CH3COCL_Acetyl-CL +CH3COCl_Acetyl-Cl { specie { @@ -32472,7 +32472,7 @@ CH3COCL_Acetyl-CL lowCpCoeffs ( 3.9884 0.0126777 7.80939e-06 -1.82292e-08 7.97984e-12 -30830 8.16676 ); } } -NE +Ne { specie { @@ -33048,7 +33048,7 @@ C2H5O-__CH3C*HOH- lowCpCoeffs ( 2.73686 0.0206277 -7.16876e-06 -3.02068e-09 2.28832e-12 -6393.69 12.5982 ); } } -C12H4CL6O2__tric +C12H4Cl6O2__tric { specie { @@ -33064,7 +33064,7 @@ C12H4CL6O2__tric lowCpCoeffs ( 3.28452 0.141319 -0.000138658 5.99059e-08 -7.31751e-12 -30439.2 19.9985 ); } } -COCL +COCl { specie { @@ -33400,7 +33400,7 @@ C4H10_isobutane lowCpCoeffs ( 4.45479 0.00826059 8.29886e-05 -1.14648e-07 4.6457e-11 -18459.4 4.92741 ); } } -C12H5CL5O2_PD +C12H5Cl5O2_PD { specie { @@ -33592,7 +33592,7 @@ MgSO4(I) lowCpCoeffs 7 { 0 }; } } -C2HFCL2_equilibr +C2HFCl2_equilibr { specie { @@ -33800,7 +33800,7 @@ C18H36O2_etPalmita lowCpCoeffs ( 0.607765 0.187616 -4.8932e-05 -5.75354e-08 3.32268e-11 -96555.9 43.5519 ); } } -COFCL +COFCl { specie { @@ -33896,7 +33896,7 @@ C6H6+_Benzene_ion lowCpCoeffs ( -2.36188 0.050756 -2.00023e-05 -1.27434e-08 9.63134e-12 116788 33.7617 ); } } -BRCN +BrCN { specie { @@ -33976,7 +33976,7 @@ C8H7___i-styryl lowCpCoeffs ( 0.595576 0.0431716 3.39695e-05 -8.55153e-08 4.02635e-11 41975.6 25.7012 ); } } -GeCL +GeCl { specie { @@ -33992,7 +33992,7 @@ GeCL lowCpCoeffs ( 2.72445 0.00895175 -1.25463e-05 6.75349e-09 -1.04008e-12 7190.16 11.8835 ); } } -CHCLF2__HCFC-22 +CHClF2__HCFC-22 { specie { @@ -34632,7 +34632,7 @@ C19H36O2_meOleic lowCpCoeffs ( 1.03901 0.189498 -4.90209e-05 -6.24649e-08 3.76956e-11 -82267.1 52.4855 ); } } -MgCL2 +MgCl2 { specie { @@ -34696,7 +34696,7 @@ C6H6_1,3-Butadie lowCpCoeffs ( 0.744284 0.0472659 -2.19464e-05 -9.84219e-09 9.27386e-12 39556.6 21.8138 ); } } -MgCL2(cr) +MgCl2(cr) { specie { @@ -34744,7 +34744,7 @@ GeS2(II)(s) lowCpCoeffs ( 5.26457 0.0158411 -3.14864e-05 3.00355e-08 -1.04866e-11 -17420.7 -22.3062 ); } } -AL2O +Al2O { specie { @@ -34792,7 +34792,7 @@ Mg2SiO4(L) lowCpCoeffs 7 { 0 }; } } -SCL2+ +SCl2+ { specie { @@ -34888,7 +34888,7 @@ C2Cl5___Pentachl lowCpCoeffs ( 3.91975 0.0549683 -9.27441e-05 7.45661e-08 -2.32158e-11 -284.949 13.3912 ); } } -C2BR3 +C2Br3 { specie { @@ -35048,7 +35048,7 @@ C8H7___1,3,5,7_Cy lowCpCoeffs ( 0.221489 0.0439671 3.08077e-05 -8.02318e-08 3.77773e-11 58455.7 25.8576 ); } } -PBS(cr)__GALENA +PbS(cr)__GALENA { specie { @@ -35208,7 +35208,7 @@ C4H6Cl2_1,4-DiCl lowCpCoeffs ( 4.62931 0.0213074 4.38339e-05 -8.04356e-08 3.58875e-11 -8812.42 12.3975 ); } } -CHBr2CL +CHBr2Cl { specie { @@ -35272,7 +35272,7 @@ ClC2H4OH__ATcT_C lowCpCoeffs ( 3.29693 0.0155882 2.61101e-05 -4.87089e-08 2.16773e-11 -33904.2 13.6163 ); } } -ALBr +AlBr { specie { @@ -35336,7 +35336,7 @@ Na2O lowCpCoeffs ( 4.47778 0.0141517 -2.77158e-05 2.4968e-08 -8.46423e-12 -3756.21 3.92862 ); } } -CHCL +CHCl { specie { @@ -35416,7 +35416,7 @@ C4F6_CycloButene lowCpCoeffs ( 4.2381 0.0498 -4.01139e-05 9.85389e-09 1.49299e-12 -148774 8.3064 ); } } -C24CL12_Coronene +C24Cl12_Coronene { specie { @@ -35672,7 +35672,7 @@ C7H8__1,6-diyne lowCpCoeffs ( 2.65094 0.0475342 -6.58275e-06 -2.70985e-08 1.531e-11 44797.6 14.6492 ); } } -CHCL2 +CHCl2 { specie { @@ -35784,7 +35784,7 @@ B3O3F3 lowCpCoeffs ( 2.25601 0.046567 -3.26831e-05 1.27816e-09 5.045e-12 -289030 16.0606 ); } } -PbCL +PbCl { specie { @@ -35832,7 +35832,7 @@ C10_linear_triple lowCpCoeffs ( 3.4855 0.0640662 -9.35342e-05 7.56085e-08 -2.48799e-11 206209 10.6203 ); } } -C2CL2F4__FC-114 +C2Cl2F4__FC-114 { specie { @@ -35928,7 +35928,7 @@ C7H5NS_Benzothiaz lowCpCoeffs ( -0.923877 0.0491355 1.97405e-05 -7.21022e-08 3.54777e-11 22598.7 30.7415 ); } } -ALCL2 +AlCl2 { specie { @@ -36200,7 +36200,7 @@ HNO3+ lowCpCoeffs ( 0.696075 0.0308976 -4.05429e-05 2.68505e-08 -7.08467e-12 122156 22.6095 ); } } -CCLF +CClF { specie { @@ -36408,12 +36408,12 @@ C3H7NO3_NPN lowCpCoeffs ( 4.69954 0.0174527 6.53066e-05 -9.90515e-08 4.08918e-11 -24608.3 11.0308 ); } } -AIR +air { specie { nMoles 1; - molWeight 0; + molWeight 28.9644; } thermodynamics { @@ -36808,7 +36808,7 @@ CH2O+_Fornald_cati lowCpCoeffs ( 2.99008 0.00405957 7.18536e-06 -1.01674e-08 3.74118e-12 112947 8.64302 ); } } -C12H6CL2O +C12H6Cl2O { specie { @@ -36952,7 +36952,7 @@ Na2O(L) lowCpCoeffs 7 { 0 }; } } -CH2BRCOOH +CH2BrCOOH { specie {