!***********************************************************************BEGIN-HDR ! ! Copyright (c) 1997-2004 Reaction Design. All rights reserved. ! ! $Header: /chemkin/pc/data/therm.dat 17 4/14/04 8:01p Pho $ ! ! $NoKeywords: $ !***********************************************************************END-HDR ! this is CHEMKIN file therm.dat V.4.0 March 2004; ! it contains the polynomial coefficients representing thermodynamic ! properties of a selection of molecules. ! THERMO 300.000 1000.000 5000.000 ! ! Species: AL CAS Number: 7429-90-5 ! Name: Aluminum Monatomic ! Source: SNL fit to 1986 JANAF tables, 6/29/87 ! H0(298K) = 78.8000 (Kcal/mole), S0(298K) = 39.3000 (cal/mole-K) AL 62987AL 1 G 300.000 5000.000 600.00 1 2.55958900e+00-1.06322400e-04 7.20282800e-08-2.12110500e-11 2.28942900e-15 2 3.89021400e+04 5.23452200e+00 2.73682500e+00-5.91237400e-04-4.03393800e-07 3 2.32234300e-09-1.70559900e-12 3.88679500e+04 4.36388000e+00 4 ! ! Species: AL2H6 CAS Number: 12004-30-7 ! Name: Aluminum Trihydride, Dimeric ! Source: SNL fit to data generated from Pollard fit, 6/29/87 ! Comment: R. Pollard, J. Crystal Grow., V.77, P.200 (1986) ! H0(298K) = 21.3500 (Kcal/mole), S0(298K) = 62.7500 (cal/mole-K) AL2H6 62987AL 2H 6 G 300.000 1500.000 600.00 1 2.63488400e+00 2.13595200e-02 3.15415100e-07-7.68467400e-09 2.33583200e-12 2 8.87134600e+03 9.82751500e+00-6.80068100e+00 5.08074400e-02 1.03974700e-05 3 -1.11958200e-07 8.45915500e-11 1.06053700e+04 5.55452600e+01 4 ! ! Species: AL2ME6 CAS Number: 15632-54-9 ! Name: Trimethylaluminum, Dimeric ! Source: SNL fit to data generated from Pollard fit, 6/29/87 ! Comment: R. Pollard, J. Crystal Grow., V.77, P.200 (1986) ! H0(298K) = -61.2000 (Kcal/mole), S0(298K) = 131.050 (cal/mole-K) AL2ME6 62987AL 2C 6H 18 G 300.000 1500.000 600.00 1 1.77314700e+01 4.93574700e-02 1.19685400e-06-1.63982600e-08 4.89086700e-12 2 -3.85556000e+04-5.05329800e+01-7.15975000e-01 1.06710900e-01 2.11760500e-05 3 -2.19321200e-07 1.64414400e-10-3.51554600e+04 3.89076300e+01 4 ! ! Species: ALAS CAS Number: 22831-42-1 ! Name: Aluminum Arsenide, Gas ! Source: SNL fit to data generated from Pollard fit, 6/29/87 ! Comment: R. Pollard, J. Crystal Grow., V.77, P.200 (1986) ! H0(298K) = 107.330 (Kcal/mole), S0(298K) = 60.6500 (cal/mole-K) ALAS 62987AL 1AS 1 G 300.000 1500.000 600.00 1 4.79002700e+00-1.90822600e-05-1.98339000e-07 2.23935800e-10-6.90470600e-14 2 5.25929000e+04 3.25970300e+00 5.04776400e+00-6.41994700e-04-1.43207100e-06 3 4.75439100e-09-3.29762100e-12 5.25426400e+04 1.98520600e+00 4 ! ! Species: ALH CAS Number: 13967-22-1 ! Name: Aluminum Monohydride ! Source: SNL fit to 1986 JANAF tables, 6/29/87 ! H0(298K) = 62.0000 (Kcal/mole), S0(298K) = 44.8800 (cal/mole-K) ALH 62987AL 1H 1 G 300.000 5000.000 1000.00 1 3.39264400e+00 1.21539900e-03-4.67659500e-07 8.69162500e-11-6.02266900e-15 2 3.00684500e+04 2.75889900e+00 3.07150300e+00 2.16554900e-03-3.27563800e-06 3 4.13698400e-09-1.87712100e-12 3.02122100e+04 4.54885500e+00 4 ! ! Species: ALH2 CAS Number: 14457-65-9 ! Name: Aluminum Dihydride ! Source: SNL fit to data generated from Pollard fit, 6/29/87 ! Comment: R. Pollard, J. Crystal Grow., V.77, P.200 (1986) ! H0(298K) = 41.9500 (Kcal/mole), S0(298K) = 54.4000 (cal/mole-K) ALH2 62987AL 1H 2 G 300.000 1500.000 600.00 1 4.48654300e+00 3.12883200e-03-1.96943800e-07-1.01603000e-09 3.49746800e-13 2 1.96095900e+04 8.16789700e-01 2.44213700e+00 9.91591300e-03 2.47108300e-07 3 -2.11958300e-08 1.71023400e-11 1.99758800e+04 1.06527000e+01 4 ! ! Species: ALH3 CAS Number: 7784-21-6 ! Name: Aluminum Trihydride ! Source: SNL fit to data generated from Pollard fit, 6/29/87 ! Comment: R. Pollard, J. Crystal Grow., V.77, P.200 (1986) ! H0(298K) = 18.8300 (Kcal/mole), S0(298K) = 52.3000 (cal/mole-K) ALH3 62987AL 1H 3 G 300.000 1500.000 600.00 1 4.18683800e+00 6.15924900e-03-3.87759300e-08-2.06192800e-09 6.60027600e-13 2 7.90807900e+03 5.13439600e-01 1.00832300e+00 1.64032400e-02 1.97674600e-06 3 -3.52855800e-08 2.75337800e-11 8.48465600e+03 1.58583800e+01 4 ! ! Species: ALME CAS Number: 76392-49-9 ! Name: Monomethylaluminum ! Source: SNL fit to data generated from Pollard fit, 6/29/87 ! Comment: R. Pollard, J. Crystal Grow., V.77, P.200 (1986) ! H0(298K) = 19.7500 (Kcal/mole), S0(298K) = 60.6800 (cal/mole-K) ALME 62987AL 1C 1H 3 G 300.000 1500.000 600.00 1 4.66273700e+00 7.09793900e-03 2.52001300e-07-2.11486300e-09 6.09748900e-13 2 8.20322800e+03 1.76924500e+00 2.66417600e+00 1.32491400e-02 2.52584800e-06 3 -2.39439600e-08 1.76185500e-11 8.57417300e+03 1.14744900e+01 4 ! ! Species: ALME2 CAS Number: 84840-89-1 ! Name: Dimethylaluminum ! Source: SNL fit to data generated from Pollard fit, 6/29/87 ! Comment: R. Pollard, J. Crystal Grow., V.77, P.200 (1986) ! H0(298K) = 12.7500 (Kcal/mole), S0(298K) = 77.4000 (cal/mole-K) ALME2 62987AL 1C 2H 6 G 300.000 1500.000 600.00 1 6.48128200e+00 1.47460500e-02 5.81652900e-07-4.62134700e-09 1.39604100e-12 2 3.74507200e+03-2.60332600e+00 9.49457300e-01 3.20635400e-02 6.13402100e-06 3 -6.50004200e-08 4.91148500e-11 4.76140800e+03 2.41946500e+01 4 ! ! Species: ALME3 CAS Number: 75-24-1 ! Name: Trimethylaluminum ! Source: SNL fit to data generated from Pollard fit, 6/29/87 ! Comment: R. Pollard, J. Crystal Grow., V.77, P.200 (1986) ! H0(298K) = -20.3000 (Kcal/mole), S0(298K) = 83.6800 (cal/mole-K) ALME3 62987AL 1C 3H 9 G 300.000 1500.000 600.00 1 6.65494800e+00 2.45514400e-02 1.17657500e-06-7.81502300e-09 2.25562200e-12 2 -1.34095200e+04-3.45448100e+00-7.02756700e-01 4.68276400e-02 1.14990300e-05 3 -9.16044100e-08 6.68729400e-11-1.20379900e+04 3.23277100e+01 4 ! ! Species: AR CAS Number: 7440-37-1 ! Name: Argon Monatomic (Ref St) ! Source: NASA fit to 1986 JANAF tables, 12/01/86 ! H0(298K) = 0.00000 (Kcal/mole), S0(298K) = 36.9800 (cal/mole-K) AR 120186AR 1 G 300.000 5000.000 1000.00 1 2.50000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2 -7.45375000e+02 4.36600100e+00 2.50000000e+00 0.00000000e+00 0.00000000e+00 3 0.00000000e+00 0.00000000e+00-7.45375000e+02 4.36600100e+00 4 ! ! Species: AR+ CAS Number: 14791-69-6 ! Name: Argon, Positive Ion ! Source: SNL fit to 1986 JANAF tables, 12/12/86 ! H0(298K) = 364.910 (Kcal/mole), S0(298K) = 39.7500 (cal/mole-K) AR+ 121286AR 1E -1 G 300.000 5000.000 1000.00 1 2.86486400e+00-1.20357300e-04-1.06519900e-08 9.07483900e-12-9.62387600e-16 2 1.82723000e+05 3.54358500e+00 2.30134100e+00 8.03552900e-04-1.75880600e-07 3 -1.78109300e-10-8.93726800e-15 1.82928100e+05 6.65935800e+00 4 ! ! Species: AS CAS Number: 7440-38-2 ! Name: Arsenic Monatomic ! Source: SNL fit to data generated from Pollard fit, 6/29/87 ! Comment: R. Pollard, J. Crystal Grow., V.77, P.200 (1986) ! H0(298K) = 75.4800 (Kcal/mole), S0(298K) = 43.5300 (cal/mole-K) AS 62987AS 1 G 300.000 1500.000 600.00 1 2.61701100e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2 3.72045500e+04 6.99552400e+00 2.61701100e+00 0.00000000e+00 0.00000000e+00 3 0.00000000e+00 0.00000000e+00 3.72045500e+04 6.99552400e+00 4 ! ! Species: AS2 CAS Number: 23878-46-8 ! Name: Arsenic Diatomic ! Source: SNL fit to data generated from Pollard fit, 6/29/87 ! Comment: R. Pollard, J. Crystal Grow., V.77, P.200 (1986) ! H0(298K) = 47.0800 (Kcal/mole), S0(298K) = 59.8300 (cal/mole-K) AS2 62987AS 2 G 300.000 1500.000 600.00 1 4.39420100e+00 5.38996800e-04-2.37940100e-07-6.54192400e-11 5.18418600e-14 2 2.23509400e+04 4.89791900e+00 3.68289200e+00 3.12181100e-03-1.07405200e-06 3 -5.62947200e-09 5.17881100e-12 2.24735600e+04 8.28342300e+00 4 ! ! Species: AS3 CAS Number: 51680-82-1 ! Name: Arsenic Triatomic ! Source: SNL fit to data generated from Pollard fit, 6/29/87 ! Comment: R. Pollard, J. Crystal Grow., V.77, P.200 (1986) ! H0(298K) = 65.3500 (Kcal/mole), S0(298K) = 77.5300 (cal/mole-K) AS3 62987AS 3 G 300.000 1500.000 600.00 1 7.40403600e+00 7.81842600e-04-3.91829700e-07-5.20362900e-11 6.29190700e-14 2 3.06382500e+04-3.41732400e+00 6.40314200e+00 4.47709900e-03-1.86664200e-06 3 -7.39475000e-09 7.01275300e-12 3.08096500e+04 1.33713600e+00 4 ! ! Species: AS4 CAS Number: 12187-08-5 ! Name: Arsenic Tetratomic ! Source: SNL fit to data generated from Pollard fit, 6/29/87 ! Comment: R. Pollard, J. Crystal Grow., V.77, P.200 (1986) ! H0(298K) = 37.1300 (Kcal/mole), S0(298K) = 78.4500 (cal/mole-K) AS4 62987AS 4 G 300.000 1500.000 600.00 1 9.69576600e+00 1.30625800e-03-5.51956400e-07-2.15087400e-10 1.45793500e-13 2 1.57173200e+04-1.61887000e+01 7.85376100e+00 7.91650900e-03-2.32982000e-06 3 -1.52631200e-08 1.37743500e-11 1.60362900e+04-7.40975500e+00 4 ! ! Species: ASALME CAS Number: Unknown ! Name: Monomethylaluminum Arsenide ! Source: SNL fit to data generated from Pollard fit, 6/29/87 ! Comment: R. Pollard, J. Crystal Grow., V.77, P.200 (1986) ! H0(298K) = 70.0000 (Kcal/mole), S0(298K) = 81.6000 (cal/mole-K) ASALME 62987AS 1AL 1C 1H 3G 300.000 1500.000 600.00 1 7.12710700e+00 7.35786400e-03 2.30079600e-08-2.22639900e-09 6.92722700e-13 2 3.27343800e+04-1.84717900e+00 4.05342300e+00 1.72612500e-02 1.83349800e-06 3 -3.38695300e-08 2.62698100e-11 3.32930900e+04 1.29966500e+01 4 ! ! Species: ASALME2 CAS Number: 161115-96-4 ! Name: Dimethylaluminum Arsenide ! Source: SNL fit to data generated from Pollard fit, 6/29/87 ! Comment: R. Pollard, J. Crystal Grow., V.77, P.200 (1986) ! H0(298K) = 63.2500 (Kcal/mole), S0(298K) = 91.0000 (cal/mole-K) ASALME2 62987AS 1AL 1C 2H 6G 300.000 1500.000 600.00 1 9.90993800e+00 1.46385000e-02 4.11873100e-07-4.44465800e-09 1.32950100e-12 2 2.81511100e+04-1.52353100e+01 4.80853000e+00 3.06768700e-02 5.04800100e-06 3 -5.90809900e-08 4.46229000e-11 2.90881700e+04 9.47162100e+00 4 ! ! Species: ASGAET CAS Number: Unknown ! Name: Monoethylgallium Arsenide ! Source: SNL fit to data generated from Pollard fit, 6/29/87 ! Comment: R. Pollard, J. Crystal Grow., V.77, P.200 (1986) ! H0(298K) = 82.7500 (Kcal/mole), S0(298K) = 95.2000 (cal/mole-K) ASGAET 62987AS 1GA 1C 2H 5G 300.000 1500.000 600.00 1 9.08107300e+00 1.67463200e-02 1.28313000e-07-5.59043600e-09 1.78131500e-12 2 3.80744300e+04-9.14278200e+00 6.36469800e-01 4.38246700e-02 6.14468600e-06 3 -9.49164100e-08 7.37419800e-11 3.96089300e+04 3.16467300e+01 4 ! ! Species: ASGAET2 CAS Number: Unknown ! Name: Diethylgallium Arsenide ! Source: SNL fit to data generated from Pollard fit, 6/29/87 ! Comment: R. Pollard, J. Crystal Grow., V.77, P.200 (1986) ! H0(298K) = 69.5500 (Kcal/mole), S0(298K) = 109.830 (cal/mole-K) ASGAET2 62987AS 1GA 1C 4H 10G 300.000 1500.000 600.00 1 1.03242900e+01 3.07357100e-02 1.08633500e-06-9.97194900e-09 2.94597900e-12 2 3.03949000e+04-1.31640200e+01-3.53924800e-01 6.36977200e-02 1.35974200e-05 3 -1.28614200e-07 9.57218100e-11 3.23690300e+04 3.86508600e+01 4 ! ! Species: ASGAME CAS Number: Unknown ! Name: Monomethylgallium Arsenide ! Source: SNL fit to data generated from Pollard fit, 6/29/87 ! Comment: R. Pollard, J. Crystal Grow., V.77, P.200 (1986) ! H0(298K) = 83.5000 (Kcal/mole), S0(298K) = 85.7500 (cal/mole-K) ASGAME 62987AS 1GA 1C 1H 3G 300.000 1500.000 600.00 1 7.32218300e+00 6.99547900e-03 1.06935100e-07-1.99528300e-09 6.04044600e-13 2 3.94944900e+04-7.41668000e-01 4.87726600e+00 1.48255900e-02 1.65212400e-06 3 -2.71205800e-08 2.08019600e-11 3.99407100e+04 1.10767000e+01 4 ! ! Species: ASGAME2 CAS Number: 161115-98-6 ! Name: Dimethylgallium Arsenide ! Source: SNL fit to data generated from Pollard fit, 6/29/87 ! Comment: R. Pollard, J. Crystal Grow., V.77, P.200 (1986) ! H0(298K) = 81.2500 (Kcal/mole), S0(298K) = 91.0000 (cal/mole-K) ASGAME2 62987AS 1GA 1C 2H 6G 300.000 1500.000 600.00 1 9.35243600e+00 1.50482000e-02 5.15797500e-07-4.55351800e-09 1.34876300e-12 2 3.73585600e+04-1.21811400e+01 4.38207600e+00 3.05634500e-02 5.47706700e-06 3 -5.83410800e-08 4.37350900e-11 3.82743400e+04 1.19111100e+01 4 ! ! Species: ASGAMEH CAS Number: 148302-58-3 ! Name: Arsenidohydromethylgallium ! Source: SNL fit to data generated from Pollard fit, 6/29/87 ! Comment: R. Pollard, J. Crystal Grow., V.77, P.200 (1986) ! H0(298K) = 93.7500 (Kcal/mole), S0(298K) = 84.7300 (cal/mole-K) ASGAMEH 62987AS 1GA 1C 1H 4G 300.000 1500.000 600.00 1 7.84279400e+00 9.68209700e-03 1.06030600e-07-2.99140200e-09 9.38267300e-13 2 4.43529700e+04-5.09345500e+00 3.58511900e+00 2.33631700e-02 2.87335600e-06 3 -4.73789500e-08 3.67446100e-11 4.51270300e+04 1.54716000e+01 4 ! ! Species: ASH CAS Number: 12628-08-9 ! Name: Arsenic Monohydride ! Source: SNL fit to data generated from Pollard fit, 6/29/87 ! Comment: R. Pollard, J. Crystal Grow., V.77, P.200 (1986) ! H0(298K) = 61.7500 (Kcal/mole), S0(298K) = 50.2000 (cal/mole-K) ASH 62987AS 1H 1 G 300.000 1500.000 600.00 1 3.21984800e+00 1.00125000e-03-4.87499700e-10-1.10765300e-10-9.25432100e-15 2 3.00817600e+04 6.64731100e+00 3.86584300e+00-1.15757100e-03-3.49437200e-07 3 7.07968600e-09-6.01402800e-12 2.99682900e+04 3.54986900e+00 4 ! ! Species: ASH2 CAS Number: 14644-45-2 ! Name: Arsenic Dihydride ! Source: SNL fit to data generated from Pollard fit, 6/29/87 ! Comment: R. Pollard, J. Crystal Grow., V.77, P.200 (1986) ! H0(298K) = 42.2500 (Kcal/mole), S0(298K) = 46.4500 (cal/mole-K) ASH2 62987AS 1H 2 G 300.000 1500.000 600.00 1 3.42830700e+00 3.18114000e-03 1.46048400e-07-7.93714500e-10 1.69441400e-13 2 2.01028200e+04 2.90470300e+00 3.77894500e+00 1.75923300e-03 8.07080700e-07 3 2.35876300e-09-3.04352100e-12 2.00486200e+04 1.27297400e+00 4 ! ! Species: ASH3 CAS Number: 7784-42-1 ! Name: Arsine ! Source: SNL fit to data generated from Pollard fit, 6/29/87 ! Comment: R. Pollard, J. Crystal Grow., V.77, P.200 (1986) ! H0(298K) = 16.6300 (Kcal/mole), S0(298K) = 55.6500 (cal/mole-K) ASH3 62987AS 1H 3 G 300.000 1500.000 600.00 1 4.17202200e+00 4.37132300e-03 2.17757400e-07-1.18326400e-09 4.53637400e-13 2 6.88291600e+03 2.80347700e+00 9.44635600e-01 1.50846900e-02 1.20169600e-06 3 -3.39746500e-08 2.76765600e-11 7.45916800e+03 1.83226800e+01 4 ! ! Species: ASME CAS Number: 83636-33-3 ! Name: Monomethylarsenic ! Source: SNL fit to data generated from Pollard fit, 6/29/87 ! Comment: R. Pollard, J. Crystal Grow., V.77, P.200 (1986) ! H0(298K) = 59.2000 (Kcal/mole), S0(298K) = 63.8000 (cal/mole-K) ASME 62987AS 1C 1H 3 G 300.000 1500.000 600.00 1 4.65726000e+00 6.97629800e-03 2.14755700e-07-2.10115900e-09 6.08215000e-13 2 2.80642300e+04 3.40983500e+00 2.62527000e+00 1.32524200e-02 2.44162800e-06 3 -2.41956700e-08 1.78694400e-11 2.84408000e+04 1.32733600e+01 4 ! ! Species: ASME2 CAS Number: 83636-34-4 ! Name: Dimethylarsenic ! Source: SNLL fit to data generated from Pollard fit, 6/29/87 ! Comment: R. Pollard, J. Crystal Grow., V.77, P.200 (1986) ! H0(298K) = 34.2000 (Kcal/mole), S0(298K) = 79.5000 (cal/mole-K) ASME2 62987AS 1C 2H 6 G 300.000 1500.000 600.00 1 5.98139500e+00 1.52128400e-02 6.99335500e-07-4.72161900e-09 1.36991200e-12 2 1.46798500e+04 1.19274100e+00 1.39040000e+00 2.92333100e-02 6.59887100e-06 3 -5.62056000e-08 4.13036800e-11 1.55330200e+04 2.34998100e+01 4 ! ! Species: ASME3 CAS Number: 593-88-4 ! Name: Trimethylarsenic ! Source: SNLL fit to data generated from Pollard fit, 6/29/87 ! Comment: R. Pollard, J. Crystal Grow., V.77, P.200 (1986) ! H0(298K) = 2.93000 (Kcal/mole), S0(298K) = 85.7800 (cal/mole-K) ASME3 62987AS 1C 3H 9 G 300.000 1500.000 600.00 1 6.34776400e+00 2.46645400e-02 1.15462900e-06-7.87743600e-09 2.20222500e-12 2 -1.61732300e+03-6.31678600e-01 2.66738800e-01 4.25317100e-02 1.16510600e-05 3 -7.91470600e-08 5.60312700e-11-4.68554000e+02 2.90459100e+01 4 ! ! Species: B CAS Number: 7440-42-8 ! Name: Boron monatomic ! Source: SNL fit to 1986 JANAF data, 4/18/94 ! H0(298K) = 133.800 (Kcal/mole), S0(298K) = 36.6500 (cal/mole-K) B 41894B 1 G 300.000 5000.000 800.00 1 2.50338300e+00-8.12139500e-06 7.40721300e-09-2.83449500e-12 3.86981400e-16 2 6.65916400e+04 4.18159100e+00 2.49243700e+00 7.17313500e-05-2.06054700e-07 3 2.42021200e-10-1.01389100e-13 6.65928700e+04 4.22781700e+00 4 ! ! Species: B(S) CAS Number: 7440-42-8 ! Name: Boron, Solid ! Source: , 1/19/95 ! H0(298K) = 0.00000 (Kcal/mole), S0(298K) = 1.41000 (cal/mole-K) B(S) 11995B 1 S 300.000 2800.000 1500.00 1 2.87866500e+00 1.94345000e-04-5.91153800e-08 9.11639400e-11-7.88260400e-15 2 -1.26511000e+03-1.65873500e+01-1.20472000e+00 1.24024700e-02-1.45766100e-05 3 8.00988800e-09-1.64543900e-12-7.70826200e+01 4.45932500e+00 4 ! ! Species: BCL CAS Number: 20583-55-5 ! Name: Boron monochloride ! Source: SNL fit to 1986 JANAF data, 4/18/94 ! H0(298K) = 33.8000 (Kcal/mole), S0(298K) = 50.9400 (cal/mole-K) BCL 41894B 1CL 1 G 300.000 5000.000 800.00 1 4.00182100e+00 6.52271400e-04-2.82028500e-07 5.74392200e-11-4.26768200e-15 2 1.57349100e+04 2.51384900e+00 3.00568300e+00 3.28880400e-03-1.80023700e-06 3 -7.23456500e-10 6.26551800e-13 1.59858600e+04 7.61792400e+00 4 ! ! Species: BCL2 CAS Number: 13842-52-9 ! Name: Boron dichloride ! Source: SNL fit to 1986 JANAF data, 4/18/94 ! H0(298K) = -19.0000 (Kcal/mole), S0(298K) = 65.1400 (cal/mole-K) BCL2 41894B 1CL 2 G 300.000 5000.000 800.00 1 6.24861000e+00 8.99263800e-04-4.38375400e-07 1.04347400e-10-8.68854800e-15 2 -1.15722000e+04-3.34823800e+00 3.98566300e+00 7.05403600e-03-3.40541400e-06 3 -3.64928400e-09 2.82307800e-12-1.10262100e+04 8.15496800e+00 4 ! ! Species: BCL3 CAS Number: 10294-34-5 ! Name: Boron trichloride ! Source: SNL fit to 1986 JANAF data, 4/18/94 ! H0(298K) = -96.3100 (Kcal/mole), S0(298K) = 69.3300 (cal/mole-K) BCL3 41894B 1CL 3 G 300.000 5000.000 1000.00 1 8.48245400e+00 1.74962600e-03-7.83821200e-07 1.54907600e-10-1.12448400e-14 2 -5.13090800e+04-1.45077100e+01 4.67674500e+00 1.20633700e-02-8.19441500e-06 3 -7.42306300e-10 1.78852800e-12-5.03257000e+04 5.02188100e+00 4 ! ! Species: BE CAS Number: 7440-41-7 ! Name: Beryllium Monatomic ! Source: SNL fit to 1986 JANAF data, 8/13/92 ! H0(298K) = 78.2500 (Kcal/mole), S0(298K) = 32.5400 (cal/mole-K) BE 81392BE 1 G 300.000 5000.000 1000.00 1 2.38061800e+00 2.33985600e-04-1.45394900e-07 3.11172700e-11-1.07295900e-15 2 3.86808300e+04 2.78779200e+00 2.40349300e+00 6.16608700e-04-1.32192500e-06 3 1.14480600e-09-3.43730400e-13 3.86489400e+04 2.54985300e+00 4 ! ! Species: BE(S) CAS Number: 7440-41-7 ! Name: Beryllium ! Source: SNL fit to 1986 JANAF data, 8/13/92 ! H0(298K) = 0.00000 (Kcal/mole), S0(298K) = 2.28000 (cal/mole-K) BE(S) 81392BE 1 S 300.000 3000.000 1000.00 1 1.89876800e+00 1.62938200e-03-3.54740600e-07 1.24734900e-10-1.57850700e-14 2 -6.52701100e+02-1.02041200e+01-9.09296300e-01 1.58566800e-02-2.62418200e-05 3 2.04492400e-08-5.87244800e-12-2.39055600e+02 2.59887100e+00 4 ! ! Species: BE2SIO4(S) CAS Number: 15191-85-2 ! Name: Beryllium Orthosilicate ! Source: SNL fit to 1986 JANAF data, 8/13/92 ! H0(298K) = -506.030 (Kcal/mole), S0(298K) = 15.3400 (cal/mole-K) BE2SIO4(S) 81392BE 2O 4SI 1 S 300.000 3000.000 1000.00 1 1.69561700e+01 6.26647200e-03-2.84132500e-06 6.37914900e-10-4.78089000e-14 2 -2.61432400e+05-9.39843800e+01-6.38015900e+00 9.33335200e-02-1.41547700e-04 3 1.10194800e-07-3.46290200e-11-2.55867100e+05 2.16297700e+01 4 ! ! Species: BE3B2O6(S) CAS Number: 13701-63-8 ! Name: Triberyllium Diborate ! Source: SNL fit to 1986 JANAF data, 8/13/92 ! H0(298K) = -741.960 (Kcal/mole), S0(298K) = 24.0000 (cal/mole-K) BE3B2O6(S) 81392B 2BE 3O 6 S 300.000 3000.000 1000.00 1 2.64026700e+01 1.14267400e-02-3.77347900e-06 4.33204700e-10 2.35654300e-14 2 -3.84957600e+05-1.48713700e+02-5.23065700e+00 1.10576900e-01-1.61405400e-04 3 1.44779700e-07-5.42078600e-11-3.75595700e+05 1.49097400e+01 4 ! ! Species: BE3N2(A) CAS Number: 1304-54-7 ! Name: Beryllium Nitride, Alpha ! Source: SNL fit to 1986 JANAF data, 8/13/92 ! H0(298K) = -140.600 (Kcal/mole), S0(298K) = 8.16000 (cal/mole-K) BE3N2(A) 81392BE 3N 2 S 300.000 3000.000 1000.00 1 1.09700800e+01 6.41684600e-03-2.93892800e-06 4.56465100e-10-5.50970300e-15 2 -7.51976700e+04-6.23128600e+01-8.16754700e+00 8.51509100e-02-1.35556900e-04 3 1.06040600e-07-3.25681500e-11-7.11046000e+04 3.04060600e+01 4 ! ! Species: BE3N2(L) CAS Number: 1304-54-7 ! Name: Beryllium Nitride ! Source: SNL fit to 1986 JANAF data, 8/13/92 ! H0(298K) = -116.400 (Kcal/mole), S0(298K) = 9.43000 (cal/mole-K) BE3N2(L) 81392BE 3N 2 L 300.000 4000.000 1000.00 1 1.61046800e+01 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2 -6.33825200e+04-8.70146900e+01 1.61046800e+01 0.00000000e+00 0.00000000e+00 3 0.00000000e+00 0.00000000e+00-6.33825200e+04-8.70146800e+01 4 ! ! Species: BEAL2O4(S) CAS Number: 12004-06-7 ! Name: Beryllium Aluminate ! Source: SNL fit to 1986 JANAF data, 8/13/92 ! H0(298K) = -549.900 (Kcal/mole), S0(298K) = 15.8400 (cal/mole-K) BEAL2O4(S) 81392AL 2BE 1O 4 S 300.000 2400.000 1000.00 1 1.11821900e+01 1.67777700e-02-6.69298900e-06-1.49736000e-09 1.20370000e-12 2 -2.81033700e+05-6.11652700e+01-7.25760400e+00 1.07455400e-01-1.71342200e-04 3 1.29527400e-07-3.74096500e-11-2.78083200e+05 2.38377000e+01 4 ! ! Species: BEB2O4 CAS Number: 14720-43-5 ! Name: Beryllium Diborate ! Source: SNL fit to 1986 JANAF data, 8/13/92 ! H0(298K) = -323.000 (Kcal/mole), S0(298K) = 78.0800 (cal/mole-K) BEB2O4 81392B 2BE 1O 4 G 300.000 5000.000 1000.00 1 1.26601800e+01 6.88321000e-03-2.96316900e-06 5.69478900e-10-4.05045800e-14 2 -1.67299000e+05-3.63687600e+01 4.01200800e+00 3.05284700e-02-2.57193800e-05 3 9.73881000e-09-1.45071200e-12-1.64898300e+05 8.39962800e+00 4 ! ! Species: BEBO2 CAS Number: 110682-18-3 ! Name: Beryllium Borate ! Source: SNL fit to 1986 JANAF data, 8/13/92 ! H0(298K) = -115.200 (Kcal/mole), S0(298K) = 63.4000 (cal/mole-K) BEBO2 81392B 1BE 1O 2 G 300.000 5000.000 1000.00 1 6.83127300e+00 3.42446400e-03-1.47123600e-06 2.82511800e-10-2.00879000e-14 2 -6.04755900e+04-8.73060900e+00 2.42620300e+00 1.57241500e-02-1.30916000e-05 3 4.24444700e-09-2.56280600e-13-5.92901600e+04 1.39474400e+01 4 ! ! Species: BEBR CAS Number: 13814-49-8 ! Name: Beryllium Monobromide ! Source: SNL fit to 1986 JANAF data, 8/13/92 ! H0(298K) = 28.7100 (Kcal/mole), S0(298K) = 54.5900 (cal/mole-K) BEBR 81392BE 1BR 1 G 300.000 5000.000 1000.00 1 4.16635700e+00 4.42446200e-04-1.71309500e-07 3.18538100e-11-1.96422100e-15 2 1.31308000e+04 3.47387500e+00 3.17875600e+00 3.14418100e-03-1.98918900e-06 3 -4.87191000e-10 6.20825500e-13 1.33787000e+04 8.52050600e+00 4 ! ! Species: BEBR2 CAS Number: 7787-46-4 ! Name: Beryllium Dibromide ! Source: SNL fit to 1986 JANAF data, 8/13/92 ! H0(298K) = -54.8000 (Kcal/mole), S0(298K) = 65.4400 (cal/mole-K) BEBR2 81392BE 1BR 2 G 300.000 5000.000 1000.00 1 6.81404000e+00 7.84845000e-04-3.49750100e-07 6.88584100e-11-4.98412900e-15 2 -2.97476400e+04-6.36211000e+00 5.21633100e+00 5.12897200e-03-3.67872600e-06 3 8.52587200e-11 5.61172100e-13-2.93296700e+04 1.84782900e+00 4 ! ! Species: BEBR2(S) CAS Number: 7787-46-4 ! Name: Beryllium Dibromide ! Source: SNL fit to 1986 JANAF data, 8/13/92 ! H0(298K) = -85.0000 (Kcal/mole), S0(298K) = 24.0000 (cal/mole-K) BEBR2(S) 81392BE 1BR 2 S 300.000 1500.000 1000.00 1 7.68016100e+00 3.19345600e-03-2.43909700e-07-9.48753600e-10 3.90221000e-13 2 -4.52809200e+04-3.28215200e+01 5.65991700e+00 8.80559900e-03-2.79031600e-06 3 -4.61140000e-09 3.00737300e-12-4.48257100e+04-2.26385200e+01 4 ! ! Species: BECL CAS Number: 13814-50-1 ! Name: Beryllium Monochloride ! Source: SNL fit to 1986 JANAF data, 8/13/92 ! H0(298K) = 14.5000 (Kcal/mole), S0(298K) = 51.9800 (cal/mole-K) BECL 81392BE 1CL 1 G 300.000 5000.000 1000.00 1 4.07224300e+00 5.32830700e-04-2.14689200e-07 4.09768700e-11-2.77484800e-15 2 5.99079200e+03 2.63987200e+00 3.00627500e+00 3.38555000e-03-2.27467400e-06 3 -1.33343800e-10 4.44778200e-13 6.27113100e+03 8.12681000e+00 4 ! ! Species: BECL2 CAS Number: 7787-47-5 ! Name: Beryllium Dichloride ! Source: SNL fit to 1986 JANAF data, 8/13/92 ! H0(298K) = -86.1000 (Kcal/mole), S0(298K) = 60.2600 (cal/mole-K) BECL2 81392BE 1CL 2 G 300.000 5000.000 1000.00 1 6.65610900e+00 9.58393500e-04-4.24863700e-07 8.33391100e-11-6.01621100e-15 2 -4.54784200e+04-8.15956500e+00 4.83508400e+00 5.89905100e-03-4.30779900e-06 3 3.11326700e-10 5.29295700e-13-4.49974800e+04 1.21061600e+00 4 ! ! Species: BECL2(A) CAS Number: 7787-47-5 ! Name: Beryllium Dichloride, Alpha ! Source: SNL fit to 1986 JANAF data, 8/13/92 ! H0(298K) = -117.340 (Kcal/mole), S0(298K) = 19.7600 (cal/mole-K) BECL2(A) 81392BE 1CL 2 S 300.000 1500.000 1000.00 1 8.38005400e+00 2.57231200e-03-7.55489200e-07-2.36824200e-10 1.04254700e-13 2 -6.17728100e+04-3.88607600e+01 8.07492700e-01 3.83022500e-02-6.25534000e-05 3 4.64594000e-08-1.29514300e-11-6.05288300e+04-3.68382500e+00 4 ! ! Species: BECL2(B) CAS Number: 7787-47-5 ! Name: Beryllium Dichloride, Beta ! Source: SNL fit to 1986 JANAF data, 8/13/92 ! H0(298K) = -118.600 (Kcal/mole), S0(298K) = 18.1200 (cal/mole-K) BECL2(B) 81392BE 1CL 2 S 300.000 1500.000 1000.00 1 7.79177100e+00 2.94538900e-03-4.23709300e-07-5.33960400e-10 1.50504400e-13 2 -6.23195800e+04-3.65669800e+01 3.00442400e+00 2.35321100e-02-3.55303700e-05 3 2.70685500e-08-8.14472800e-12-6.13649500e+04-1.36575800e+01 4 ! ! Species: BECLF CAS Number: 13598-12-4 ! Name: Beryllium Chloride Fluoride ! Source: SNL fit to 1986 JANAF data, 8/13/92 ! H0(298K) = -137.000 (Kcal/mole), S0(298K) = 58.8900 (cal/mole-K) BECLF 81392BE 1CL 1F 1 G 300.000 5000.000 1000.00 1 6.39378700e+00 1.23494800e-03-5.41247600e-07 1.05315000e-10-7.55755300e-15 2 -7.10483100e+04-7.47851200e+00 4.40541500e+00 6.64222800e-03-5.15435400e-06 3 1.06317500e-09 2.28781000e-13-7.05126200e+04 2.77758600e+00 4 ! ! Species: BEF CAS Number: 13597-96-1 ! Name: Beryllium Monofluoride ! Source: SNL fit to 1986 JANAF data, 8/13/92 ! H0(298K) = -40.6000 (Kcal/mole), S0(298K) = 49.1500 (cal/mole-K) BEF 81392BE 1F 1 G 300.000 5000.000 1000.00 1 3.74137000e+00 8.52481800e-04-3.43642800e-07 6.46609900e-11-4.47508900e-15 2 -2.16766700e+04 2.96822300e+00 2.90510800e+00 2.95209900e-03-2.74761700e-06 3 1.91880000e-09-7.17996400e-13-2.14097200e+04 7.40761700e+00 4 ! ! Species: BEF2 CAS Number: 7787-49-7 ! Name: Beryllium Difluoride ! Source: SNL fit to 1986 JANAF data, 8/13/92 ! H0(298K) = -190.250 (Kcal/mole), S0(298K) = 54.3600 (cal/mole-K) BEF2 81392BE 1F 2 G 300.000 5000.000 1000.00 1 6.00887500e+00 1.63643100e-03-7.09465100e-07 1.37022000e-10-9.78046200e-15 2 -9.77705600e+04-7.72369300e+00 3.80175900e+00 7.73798800e-03-6.42772400e-06 3 2.09732800e-09-1.46269500e-13-9.71709200e+04 3.66078400e+00 4 ! ! Species: BEF2(L) CAS Number: 7787-49-7 ! Name: Beryllium Difluoride ! Source: SNL fit to 1986 JANAF data, 8/13/92 ! H0(298K) = -244.270 (Kcal/mole), S0(298K) = 14.3200 (cal/mole-K) BEF2(L) 81392BE 1F 2 L 300.000 2000.000 1000.00 1 5.97658500e+00 4.77700900e-03-5.06413100e-07 5.01240400e-11 8.57041600e-15 2 -1.25127700e+05-2.87383300e+01-5.58735500e-01 3.42390500e-02-5.21007800e-05 3 4.09940000e-08-1.22676700e-11-1.23906000e+05 2.16230800e+00 4 ! ! Species: BEH CAS Number: 13597-97-2 ! Name: Beryllium Monohydride ! Source: SNL fit to 1986 JANAF data, 8/13/92 ! H0(298K) = 76.7700 (Kcal/mole), S0(298K) = 42.2400 (cal/mole-K) BEH 81392BE 1H 1 G 300.000 5000.000 1000.00 1 3.10375700e+00 1.44302600e-03-5.48638300e-07 9.99251800e-11-6.82307300e-15 2 3.76203200e+04 3.11388700e+00 3.22022000e+00 1.66063800e-03-3.75981100e-06 3 5.40357800e-09-2.43337800e-12 3.76248400e+04 2.53611600e+00 4 ! ! Species: BEH+ CAS Number: 19511-83-2 ! Name: Beryllium Monohydride, Positive Ion ! Source: SNL fit to 1986 JANAF data, 8/13/92 ! H0(298K) = 276.400 (Kcal/mole), S0(298K) = 40.7600 (cal/mole-K) BEH+ 81392BE 1H 1E -1 G 300.000 5000.000 1000.00 1 2.93502600e+00 1.64288100e-03-6.60695000e-07 1.25385400e-10-8.32243800e-15 2 1.38160500e+05 3.34244300e+00 3.20317400e+00 1.91809500e-03-4.74351500e-06 3 6.39278500e-09-2.73626500e-12 1.38094400e+05 1.84918600e+00 4 ! ! Species: BEH2 CAS Number: 7787-52-2 ! Name: Beryllium Dihydride ! Source: SNL fit to 1986 JANAF data, 8/13/92 ! H0(298K) = 30.0000 (Kcal/mole), S0(298K) = 41.3500 (cal/mole-K) BEH2 81392BE 1H 2 G 300.000 5000.000 1000.00 1 3.27439500e+00 4.31282200e-03-1.77478500e-06 3.29813100e-10-2.28639100e-14 2 1.36791300e+04 3.75870000e-01 1.76147200e+00 8.82770100e-03-1.24192300e-05 3 1.41257400e-08-6.17630900e-12 1.42644700e+04 8.57383300e+00 4 ! ! Species: BEH2O2 CAS Number: 13327-32-7 ! Name: Beryllium Dihydroxide ! Source: SNL fit to 1986 JANAF data, 8/13/92 ! H0(298K) = -161.700 (Kcal/mole), S0(298K) = 55.8900 (cal/mole-K) BEH2O2 81392BE 1H 2O 2 G 300.000 5000.000 1000.00 1 7.69471800e+00 4.89397500e-03-1.78089500e-06 3.05561100e-10-2.00912100e-14 2 -8.40352000e+04-1.75182000e+01 3.11883300e+00 1.99718300e-02-1.67310100e-05 3 3.27576600e-09 1.45784800e-12-8.30530100e+04 5.12854500e+00 4 ! ! Species: BEH2O2(A) CAS Number: 13327-32-7 ! Name: Beryllium Dihydroxide, Alpha ! Source: SNL fit to 1986 JANAF data, 8/13/92 ! H0(298K) = -215.800 (Kcal/mole), S0(298K) = 12.8000 (cal/mole-K) BEH2O2(A) 81392BE 1H 2O 2 S 300.000 1000.000 1000.00 1 1.35766900e+01 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2 -1.13892500e+05-7.36907100e+01-7.12129200e+00 8.37837500e-02-1.43514400e-04 3 1.16408400e-07-3.59798300e-11-1.09154400e+05 2.74514800e+01 4 ! ! Species: BEH2O2(B) CAS Number: 13327-32-7 ! Name: Beryllium Dihydroxide, Beta ! Source: SNL fit to 1986 JANAF data, 8/13/92 ! H0(298K) = -216.500 (Kcal/mole), S0(298K) = 12.0000 (cal/mole-K) BEH2O2(B) 81392BE 1H 2O 2 S 300.000 1000.000 1000.00 1 1.35766900e+01 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2 -1.14244700e+05-7.40933300e+01-7.12129200e+00 8.37837500e-02-1.43514400e-04 3 1.16408400e-07-3.59798300e-11-1.09506600e+05 2.70488700e+01 4 ! ! Species: BEI CAS Number: 13597-98-3 ! Name: Beryllium Monoiodide ! Source: SNL fit to 1986 JANAF data, 8/13/92 ! H0(298K) = 40.6300 (Kcal/mole), S0(298K) = 56.6900 (cal/mole-K) BEI 81392BE 1I 1 G 300.000 5000.000 1000.00 1 4.22657400e+00 3.94842700e-04-1.54969600e-07 3.02385100e-11-1.93230100e-15 2 1.91283200e+04 4.22949300e+00 3.35879100e+00 2.86427600e-03-1.88988900e-06 3 -4.37094200e-10 5.98669200e-13 1.93364100e+04 8.62757800e+00 4 ! ! Species: BEI2 CAS Number: 7787-53-3 ! Name: Beryllium Diiodide ! Source: SNL fit to 1986 JANAF data, 8/13/92 ! H0(298K) = -15.3000 (Kcal/mole), S0(298K) = 69.6500 (cal/mole-K) BEI2 81392BE 1I 2 G 300.000 5000.000 1000.00 1 6.97421700e+00 6.09457300e-04-2.73978300e-07 5.42876700e-11-3.94883300e-15 2 -9.89008600e+03-5.06373200e+00 5.56400800e+00 4.47266400e-03-3.09074500e-06 3 -2.60972200e-10 6.75077700e-13-9.52954900e+03 2.15815200e+00 4 ! ! Species: BEI2(S) CAS Number: 7787-53-3 ! Name: Beryllium Diiodide ! Source: SNL fit to 1986 JANAF data, 8/13/92 ! H0(298K) = -45.1000 (Kcal/mole), S0(298K) = 28.8000 (cal/mole-K) BEI2(S) 81392BE 1I 2 S 300.000 1500.000 1000.00 1 8.86831600e+00 2.59197800e-03-7.79684600e-07-2.23695200e-10 1.01603200e-13 2 -2.55655600e+04-3.70985900e+01 1.30187200e+00 3.83011500e-02-6.25508000e-05 3 4.64567500e-08-1.29504600e-11-2.43230300e+04-1.95219000e+00 4 ! ! Species: BEN CAS Number: 37279-11-1 ! Name: Beryllium Nitride ! Source: SNL fit to 1986 JANAF data, 8/13/92 ! H0(298K) = 101.980 (Kcal/mole), S0(298K) = 49.8700 (cal/mole-K) BEN 81392BE 1N 1 G 300.000 5000.000 1000.00 1 3.79913700e+00 8.13507200e-04-3.27182600e-07 6.26759700e-11-4.44354700e-15 2 5.00658200e+04 3.01395800e+00 2.88028200e+00 3.15784800e-03-2.74930000e-06 3 1.54930400e-09-4.94440700e-13 5.03462200e+04 7.85485700e+00 4 ! ! Species: BEO(A) CAS Number: 1304-56-9 ! Name: Beryllium Oxide, Alpha ! Source: SNL fit to 1986 JANAF data, 8/13/92 ! H0(298K) = -145.400 (Kcal/mole), S0(298K) = 3.29000 (cal/mole-K) BEO(A) 81392BE 1O 1 S 300.000 3500.000 1000.00 1 4.60610100e+00 1.46501300e-03-9.31698900e-08-8.83990200e-11 1.84016300e-14 2 -7.49292700e+04-2.57935800e+01-1.18754500e-01 1.23116800e-02-2.29840500e-06 3 -9.31850200e-09 5.33192800e-12-7.36478600e+04-1.15116300e+00 4 ! ! Species: BEO(B) CAS Number: 1304-56-9 ! Name: Beryllium Oxide, Beta ! Source: SNL fit to 1986 JANAF data, 8/13/92 ! H0(298K) = -143.800 (Kcal/mole), S0(298K) = 3.97000 (cal/mole-K) BEO(B) 81392BE 1O 1 S 300.000 3500.000 1000.00 1 4.60610100e+00 1.46501300e-03-9.31698900e-08-8.83990200e-11 1.84016300e-14 2 -7.41240300e+04-2.54541800e+01-1.18754500e-01 1.23116800e-02-2.29840500e-06 3 -9.31850200e-09 5.33192800e-12-7.28426200e+04-8.11765100e-01 4 ! ! Species: BEOH CAS Number: 20768-68-7 ! Name: Beryllium Monohydroxide ! Source: SNL fit to 1986 JANAF data, 8/13/92 ! H0(298K) = -27.4000 (Kcal/mole), S0(298K) = 50.0700 (cal/mole-K) BEOH 81392BE 1H 1O 1 G 300.000 5000.000 1000.00 1 4.58070300e+00 2.44407900e-03-8.79469300e-07 1.48475000e-10-9.53046800e-15 2 -1.53468200e+04-1.81972500e+00 2.57786800e+00 8.97762800e-03-7.86795600e-06 3 2.53613900e-09 6.05786400e-14-1.48922000e+04 8.16264500e+00 4 ! ! Species: BES(S) CAS Number: 13598-22-6 ! Name: Beryllium Monosulfide ! Source: SNL fit to 1986 JANAF data, 8/13/92 ! H0(298K) = -56.0000 (Kcal/mole), S0(298K) = 8.85000 (cal/mole-K) BES(S) 81392BE 1S 1 S 300.000 3000.000 1000.00 1 4.94410700e+00 3.09892900e-03-1.30898500e-06 2.56467000e-10-1.37767300e-14 2 -3.00440800e+04-2.52119100e+01-3.04516600e+00 3.93453700e-02-6.57240600e-05 3 5.23043600e-08-1.59037700e-11-2.85403200e+04 1.25603300e+01 4 ! ! Species: BESO4(A) CAS Number: 13510-49-1 ! Name: Beryllium Sulfate, Alpha ! Source: SNL fit to 1986 JANAF data, 8/13/92 ! H0(298K) = -287.000 (Kcal/mole), S0(298K) = 18.6400 (cal/mole-K) BESO4(A) 81392BE 1O 4S 1 S 300.000 2300.000 1000.00 1 2.08123500e-01 3.03554000e-02-7.76939600e-06-2.94251700e-09 1.11224900e-12 2 -1.45527800e+05 2.60918300e-01-8.96004100e+00 1.17972600e-01-2.43839000e-04 3 2.43017700e-07-8.72274100e-11-1.45300500e+05 3.41081200e+01 4 ! ! Species: BESO4(B) CAS Number: 13510-49-1 ! Name: Beryllium Sulfate, Beta ! Source: SNL fit to 1986 JANAF data, 8/13/92 ! H0(298K) = -286.730 (Kcal/mole), S0(298K) = 18.9400 (cal/mole-K) BESO4(B) 81392BE 1O 4S 1 S 300.000 2300.000 1000.00 1 2.08123500e-01 3.03554000e-02-7.76939600e-06-2.94251700e-09 1.11224900e-12 2 -1.45393900e+05 4.15723000e-01-8.96004100e+00 1.17972600e-01-2.43839000e-04 3 2.43017700e-07-8.72274100e-11-1.45166700e+05 3.42629200e+01 4 ! ! Species: BESO4(GAM) CAS Number: 13510-49-1 ! Name: Beryllium Sulfate, Gamma ! Source: SNL fit to 1986 JANAF data, 8/13/92 ! H0(298K) = -282.060 (Kcal/mole), S0(298K) = 24.0900 (cal/mole-K) BESO4(GAM) 81392BE 1O 4S 1 S 300.000 2300.000 1000.00 1 2.08123500e-01 3.03554000e-02-7.76939600e-06-2.94251700e-09 1.11224900e-12 2 -1.43042200e+05 3.00505100e+00-8.96004100e+00 1.17972600e-01-2.43839000e-04 3 2.43017700e-07-8.72274100e-11-1.42814800e+05 3.68522500e+01 4 ! ! Species: BN CAS Number: 10043-11-5 ! Name: Boron Nitride ! Source: , 1/19/95 ! H0(298K) = -59.9700 (Kcal/mole), S0(298K) = 3.54000 (cal/mole-K) BN 11995B 1N 1 S 300.000 3500.000 1500.00 1 5.42309100e+00 5.66605400e-04-2.32748000e-07 3.53532000e-11-1.19433200e-15 2 -3.29329200e+04-3.14520100e+01-1.34734100e+00 1.70760900e-02-1.81389300e-05 3 9.92182400e-09-2.18820200e-12-3.03970300e+04 5.08752900e+00 4 ! ! Species: C CAS Number: 7440-44-0 ! Name: Carbon Monatomic ! Source: SNLL fit to 1986 JANAF tables, 12/10/86 ! H0(298K) = 171.290 (Kcal/mole), S0(298K) = 37.7600 (cal/mole-K) C 121086C 1 G 300.000 5000.000 1000.00 1 2.60208700e+00-1.78708100e-04 9.08704100e-08-1.14993300e-11 3.31084400e-16 2 8.54215400e+04 4.19517700e+00 2.49858500e+00 8.08577700e-05-2.69769700e-07 3 3.04072900e-10-1.10665200e-13 8.54587800e+04 4.75345900e+00 4 ! ! Species: C(S) CAS Number: 7440-44-0 ! Name: Carbon (Ref St), Graphite ! Source: SNLL fit to 1986 JANAF tables, 12/12/86 ! H0(298K) = 0.00000 (Kcal/mole), S0(298K) = 1.37000 (cal/mole-K) C(S) 121286C 1 S 300.000 5000.000 1000.00 1 1.49016600e+00 1.66212600e-03-6.68720400e-07 1.29088000e-10-9.20533400e-15 2 -7.07401900e+02-8.71778500e+00-6.70566100e-01 7.18150000e-03-5.63292100e-06 3 2.14229900e-09-4.16856200e-13-7.33949800e+01 2.60159600e+00 4 ! ! Species: C+ CAS Number: 14067-05-1 ! Name: Carbon, Positive Ion ! Source: NASA fit to NASA Lewis data, 12/01/86 ! H0(298K) = 432.470 (Kcal/mole), S0(298K) = 36.9400 (cal/mole-K) C+ 120186C 1E -1 G 300.000 5000.000 1000.00 1 2.51182700e+00-1.73597800e-05 9.50426800e-09-2.21885200e-12 1.86218900e-16 2 2.16677200e+05 4.28613000e+00 2.59538400e+00-4.06866500e-04 6.89236700e-07 3 -5.26648800e-10 1.50833800e-13 2.16662800e+05 3.89573000e+00 4 ! ! Species: C- CAS Number: 14337-00-9 ! Name: Carbon, Negative Ion ! Source: SNLL fit to 1986 JANAF tables, 12/16/86 ! H0(298K) = 140.610 (Kcal/mole), S0(298K) = 36.1600 (cal/mole-K) C- 121686C 1E 1 G 300.000 5000.000 1000.00 1 2.99022100e+00-9.18459600e-04 5.05556000e-07-7.70341000e-11 3.16327100e-15 2 6.98393100e+04 1.25945300e+00 2.78390300e+00-1.77428800e-03 3.69676100e-06 3 -3.06669300e-09 8.63762200e-13 6.99851100e+04 2.72628100e+00 4 ! ! Species: C2 CAS Number: 12070-15-4 ! Name: Carbon Diatomic ! Source: SNLL fit to 1986 JANAF tables, 12/12/86 ! H0(298K) = 200.220 (Kcal/mole), S0(298K) = 47.6300 (cal/mole-K) C2 121286C 2 G 300.000 5000.000 1000.00 1 4.13597900e+00 6.53161800e-05 1.83709900e-07-5.29508500e-11 4.71213700e-15 2 9.96727200e+04 7.47292300e-01 6.99604500e+00-7.40060200e-03 3.23470400e-06 3 4.80253500e-09-3.29591800e-12 9.89748700e+04-1.38622700e+01 4 ! ! Species: C2- CAS Number: 12595-78-7 ! Name: Carbon Diatomic, Negative Ion ! Source: SNLL fit to 1986 JANAF tables, 12/12/86 ! H0(298K) = 106.000 (Kcal/mole), S0(298K) = 46.9600 (cal/mole-K) C2- 121286C 2E 1 G 300.000 5000.000 1000.00 1 3.79689100e+00 2.53005000e-04 9.70911800e-08-1.61480400e-11-3.21289300e-17 2 5.20798100e+04 1.65814700e+00 3.46801200e+00-2.35287500e-04 1.24391200e-06 3 4.70596100e-10-8.16427400e-13 5.23121500e+04 3.88669900e+00 4 ! ! Species: C2CL3 CAS Number: 90177-25-6 ! Name: Trichlorovinyl Radical ! Source: SNL fit to BAC-MP4 data, 4/09/92 ! H0(298K) = 54.3700 (Kcal/mole), S0(298K) = 79.9300 (cal/mole-K) C2CL3 40992C 2CL 3 G 300.000 4000.000 1500.00 1 1.18385300e+01 9.46085100e-04-2.92087000e-07 3.84702400e-11-1.53956000e-15 2 2.31314300e+04-2.89144500e+01 4.80864700e+00 2.21294800e-02-2.54884700e-05 3 1.37208300e-08-2.81266300e-12 2.51435300e+04 7.23262900e+00 4 ! ! Species: C2CL5 CAS Number: 7094-17-9 ! Name: Pentachloroethyl Radical ! Source: SNL fit to BAC-MP4 data, 4/09/92 ! H0(298K) = 7.38000 (Kcal/mole), S0(298K) = 94.5200 (cal/mole-K) C2CL5 40992C 2CL 5 G 300.000 4000.000 1500.00 1 1.77510700e+01 9.22080000e-04-4.85269400e-07 1.19037300e-10-1.10044600e-14 2 -2.40276800e+03-5.54567600e+01 6.41434600e+00 3.86736700e-02-4.85793500e-05 3 2.73451300e-08-5.73289100e-12 4.69703900e+02 1.54203600e+00 4 ! ! Species: C2CL6 CAS Number: 67-72-1 ! Name: Hexachloroethane ! Source: SNL fit to BAC-MP4 data, 4/09/92 ! H0(298K) = -32.4300 (Kcal/mole), S0(298K) = 93.1500 (cal/mole-K) C2CL6 40992C 2CL 6 G 300.000 4000.000 1500.00 1 2.02142200e+01 1.75764800e-03-5.88104000e-07 8.02973900e-11-3.95823800e-15 2 -2.34015600e+04-7.09601100e+01 7.49271000e+00 4.31846800e-02-5.27504800e-05 3 2.94714300e-08-6.17655400e-12-2.00655500e+04-6.63558200e+00 4 ! ! Species: C2F6 CAS Number: 76-16-4 ! Name: Hexafluoroethane ! Source: SNLL fit to 1986 JANAF tables, 8/24/89 ! H0(298K) = -321.200 (Kcal/mole), S0(298K) = 79.3700 (cal/mole-K) C2F6 82489C 2F 6 G 300.000 5000.000 1000.00 1 1.60205700e+01 6.27300700e-03-2.79777800e-06 5.51754700e-10-4.00465100e-14 2 -1.67565400e+05-5.51945900e+01 3.57744800e+00 3.91367000e-02-2.71486200e-05 3 4.34845900e-10 4.00713500e-12-1.64217400e+05 9.09838400e+00 4 ! ! Species: C2H CAS Number: 2122-48-7 ! Name: Ethynyl Radical ! Source: , 8/11/93 ! H0(298K) = 135.000 (Kcal/mole), S0(298K) = 51.1000 (cal/mole-K) C2H 81193C 2H 1 G 300.000 4000.000 1000.00 1 3.98636700e+00 3.14312300e-03-1.26724300e-06 2.92436300e-10-2.71632000e-14 2 6.65588400e+04 1.19106300e+00 2.73770400e+00 8.04844600e-03-9.24431000e-06 3 6.52525900e-09-1.93958000e-12 6.68381300e+04 7.30022000e+00 4 ! ! Species: C2H2 CAS Number: 74-86-2 ! Name: Acetylene ! Source: SNLL fit to 1986 JANAF tables, 12/13/86 ! H0(298K) = 54.1900 (Kcal/mole), S0(298K) = 48.0000 (cal/mole-K) C2H2 121386C 2H 2 G 300.000 5000.000 1000.00 1 4.43677000e+00 5.37603900e-03-1.91281700e-06 3.28637900e-10-2.15671000e-14 2 2.56676600e+04-2.80033800e+00 2.01356200e+00 1.51904500e-02-1.61631900e-05 3 9.07899200e-09-1.91274600e-12 2.61244400e+04 8.80537800e+00 4 ! ! Species: C2H3 CAS Number: 2669-89-8 ! Name: Vinyl Radical ! Source: Recalc. OF Burcat fit (Technion), H298=68.4 per Miller, 1/27/87 ! H0(298K) = 68.4000 (Kcal/mole), S0(298K) = 55.3000 (cal/mole-K) C2H3 12787C 2H 3 G 300.000 5000.000 1000.00 1 5.93346800e+00 4.01774600e-03-3.96674000e-07-1.44126700e-10 2.37864400e-14 2 3.18543500e+04-8.53031300e+00 2.45927600e+00 7.37147600e-03 2.10987300e-06 3 -1.32164200e-09-1.18478400e-12 3.33522500e+04 1.15562000e+01 4 ! ! Species: C2H4 CAS Number: 74-85-1 ! Name: Ethylene ! Source: SNLL fit to 1986 JANAF tables, 12/12/86 ! H0(298K) = 12.5400 (Kcal/mole), S0(298K) = 52.4000 (cal/mole-K) C2H4 121286C 2H 4 G 300.000 5000.000 1000.00 1 3.52841900e+00 1.14851800e-02-4.41838500e-06 7.84460100e-10-5.26684800e-14 2 4.42828900e+03 2.23038900e+00-8.61488000e-01 2.79616300e-02-3.38867700e-05 3 2.78515200e-08-9.73787900e-12 5.57304600e+03 2.42114900e+01 4 ! ! Species: C2H5 CAS Number: 2025-56-1 ! Name: Ethyl Radical ! Source: Recalc. OF Burcat fit (TSIV tables), H298=28 per Miller, 1/23/87 ! H0(298K) = 28.0000 (Kcal/mole), S0(298K) = 60.1000 (cal/mole-K) C2H5 12387C 2H 5 G 300.000 5000.000 1000.00 1 7.19048000e+00 6.48407700e-03-6.42806500e-07-2.34787900e-10 3.88087700e-14 2 1.06745500e+04-1.47808900e+01 2.69070200e+00 8.71913300e-03 4.41983900e-06 3 9.33870300e-10-3.92777300e-12 1.28704000e+04 1.21382000e+01 4 ! ! Species: C2H6 CAS Number: 74-84-0 ! Name: Ethane ! Source: Burcat (Technion Reports), 12/16/86 ! H0(298K) = -20.0000 (Kcal/mole), S0(298K) = 60.1000 (cal/mole-K) C2H6 121686C 2H 6 G 300.000 4000.000 1000.00 1 4.82593800e+00 1.38404300e-02-4.55725900e-06 6.72496700e-10-3.59816100e-14 2 -1.27177900e+04-5.23950700e+00 1.46253900e+00 1.54946700e-02 5.78050700e-06 3 -1.25783200e-08 4.58626700e-12-1.12391800e+04 1.44322900e+01 4 ! ! Species: C2HCL CAS Number: 593-63-5 ! Name: Chloroacetylene ! Source: SNLL fit to 1986 JANAF data, 11/29/89 ! H0(298K) = 51.1000 (Kcal/mole), S0(298K) = 57.8100 (cal/mole-K) C2HCL 112989C 2H 1CL 1 G 300.000 5000.000 1000.00 1 6.29537200e+00 3.88311300e-03-1.50604900e-06 2.70000300e-10-1.83021300e-14 2 2.35727900e+04-8.13706300e+00 3.61844300e+00 1.33197900e-02-1.32182200e-05 3 6.09202400e-09-8.87902600e-13 2.41538500e+04 5.05064500e+00 4 ! ! Species: C2HCL5 CAS Number: 76-01-7 ! Name: Pentachloroethane ! Source: SNL fit to BAC-MP4 data, 4/09/92 ! H0(298K) = -35.1900 (Kcal/mole), S0(298K) = 91.6100 (cal/mole-K) C2HCL5 40992H 1C 2CL 5 G 300.000 4000.000 1500.00 1 1.89780200e+01 2.24427500e-03-5.86478800e-07 2.73395000e-11 4.93413500e-15 2 -2.49488700e+04-6.57871400e+01 5.35604400e+00 4.17639000e-02-4.71078700e-05 3 2.55075800e-08-5.32447800e-12-2.07933000e+04 4.97025800e+00 4 ! ! Species: C2N CAS Number: 53590-27-5 ! Name: Isocyanomethyliumylidene (CNC Radical) ! Source: SNLL fit to 1986 JANAF tables, 12/12/86 ! H0(298K) = 133.000 (Kcal/mole), S0(298K) = 55.1600 (cal/mole-K) C2N 121286C 2N 1 G 300.000 5000.000 1000.00 1 6.15156100e+00 1.51165000e-03-6.62936200e-07 1.28614800e-10-9.16083000e-15 2 6.48431800e+04-8.17785000e+00 3.49854400e+00 8.55443300e-03-6.28869700e-06 3 8.63847800e-10 4.91599600e-13 6.55661100e+04 5.54837400e+00 4 ! ! Species: C2N2 CAS Number: 460-19-5 ! Name: Cyanogen ! Source: SNLL fit to 1986 JANAF tables, 12/12/86 ! H0(298K) = 73.8700 (Kcal/mole), S0(298K) = 57.7100 (cal/mole-K) C2N2 121286C 2N 2 G 300.000 5000.000 1000.00 1 6.54800300e+00 3.98470700e-03-1.63421600e-06 3.03859700e-10-2.11106900e-14 2 3.49071600e+04-9.73579000e+00 4.26545900e+00 1.19225700e-02-1.34201400e-05 3 9.19229700e-09-2.77894200e-12 3.54788800e+04 1.71321200e+00 4 ! ! Species: C2O CAS Number: 12071-23-7 ! Name: Oxoethenylidene (CCO Radical) ! Source: SNLL fit to 1986 JANAF tables, 12/12/86 ! H0(298K) = 68.5000 (Kcal/mole), S0(298K) = 55.6800 (cal/mole-K) C2O 121286C 2O 1 G 300.000 5000.000 1000.00 1 4.84980900e+00 2.94758500e-03-1.09072900e-06 1.79256200e-10-1.11575800e-14 2 3.28205500e+04-6.45322600e-01 3.36885100e+00 8.24180300e-03-8.76514500e-06 3 5.56926200e-09-1.54000900e-12 3.31708100e+04 6.71331400e+00 4 ! ! Species: C3 CAS Number: 12075-35-3 ! Name: Carbon Triatomic ! Source: SNLL fit to 1986 JANAF tables, 12/12/86 ! H0(298K) = 196.000 (Kcal/mole), S0(298K) = 56.6800 (cal/mole-K) C3 121286C 3 G 300.000 5000.000 1000.00 1 3.80371000e+00 2.25356700e-03-7.70453500e-07 1.31629400e-10-8.69426400e-15 2 9.73613500e+04 6.12806300e+00 4.34552800e+00 1.26446600e-03-4.65255700e-06 3 8.69585600e-09-4.24353600e-12 9.73140300e+04 3.51943700e+00 4 ! ! Species: C3H2 CAS Number: 67152-18-5 ! Name: 1,2-Propandiene-1,3-diyl (HCCCH 3B) ! Source: SNL fit to BACMP4 data, 10/21/93 ! H0(298K) = 129.390 (Kcal/mole), S0(298K) = 62.0100 (cal/mole-K) C3H2 102193H 2C 3 G 150.000 4000.000 1000.00 1 7.67098100e+00 2.74874900e-03-4.37094300e-07-6.45559900e-11 1.66388700e-14 2 6.25972200e+04-1.23689000e+01 3.16671400e+00 2.48257200e-02-4.59163700e-05 3 4.26801900e-08-1.48215200e-11 6.35042100e+04 8.86944600e+00 4 ! ! Species: C3H2(S) CAS Number: 2008-19-7 ! Name: 2-Propynylidene (HCCCH 1A') ! Source: SNL fit to BACMP4 data, 10/19/93 ! H0(298K) = 141.430 (Kcal/mole), S0(298K) = 59.7400 (cal/mole-K) C3H2(S) 101993H 2C 3 G 300.000 4000.000 1400.00 1 8.35131200e+00 2.67227800e-03-2.12940400e-07-1.47821800e-10 2.58368900e-14 2 6.80069000e+04-1.95088400e+01 4.74947500e+00 8.52022900e-03-1.16026800e-06 3 -2.49495400e-09 9.92100400e-13 6.93997900e+04 5.43779200e-01 4 ! ! Species: C3H4 CAS Number: 463-49-0 ! Name: Allene ! Source: SNL fit to BACMP4 data, 10/19/93 ! H0(298K) = 47.6700 (Kcal/mole), S0(298K) = 57.9900 (cal/mole-K) C3H4 101993H 4C 3 G 300.000 4000.000 1400.00 1 9.77625600e+00 5.30213800e-03-3.70111800e-07-3.02638600e-10 5.08958100e-14 2 1.95497200e+04-3.07706100e+01 2.53983100e+00 1.63343700e-02-1.76495000e-06 3 -4.64736500e-09 1.72913100e-12 2.25124300e+04 9.93570200e+00 4 ! ! Species: C3H4C CAS Number: 2781-85-3 ! Name: Cyclopropene ! Source: SNL fit to BACMP4 data, 10/19/93 ! H0(298K) = 67.9900 (Kcal/mole), S0(298K) = 57.9400 (cal/mole-K) C3H4C 101993H 4C 3 G 300.000 4000.000 1400.00 1 9.70865200e+00 5.34493900e-03-3.95355300e-07-3.11176400e-10 5.36940600e-14 2 2.96772200e+04-3.07327300e+01 1.05616200e+00 1.90523600e-02-2.31704800e-06 3 -5.93369000e-09 2.30712800e-12 3.30911000e+04 1.76192700e+01 4 ! ! Species: C3H4P CAS Number: 74-99-7 ! Name: Methylacetylene ! Source: SNL fit to BACMP4 data, 10/19/93 ! H0(298K) = 45.7700 (Kcal/mole), S0(298K) = 58.8900 (cal/mole-K) C3H4P 101993H 4C 3 G 300.000 4000.000 1400.00 1 9.76810200e+00 5.21915100e-03-3.75314000e-07-2.99219100e-10 5.10787800e-14 2 1.86027700e+04-3.02067800e+01 3.02973000e+00 1.49896100e-02-1.39850000e-06 3 -3.96961900e-09 1.38821700e-12 2.14840800e+04 8.00459400e+00 4 ! ! Species: C3H6 CAS Number: 115-07-1 ! Name: Propylene ! Source: Burcat (Technion Reports), 12/01/86 ! H0(298K) = 4.88000 (Kcal/mole), S0(298K) = 61.5000 (cal/mole-K) C3H6 120186C 3H 6 G 300.000 5000.000 1000.00 1 6.73225700e+00 1.49083400e-02-4.94989900e-06 7.21202200e-10-3.76620400e-14 2 -9.23570300e+02-1.33133500e+01 1.49330700e+00 2.09251800e-02 4.48679400e-06 3 -1.66891200e-08 7.15814600e-12 1.07482600e+03 1.61453400e+01 4 ! ! Species: C3H8 CAS Number: 74-98-6 ! Name: Propane ! Source: Burcat (NASA Lewis tables), 12/01/86 ! H0(298K) = -24.8000 (Kcal/mole), S0(298K) = 64.6000 (cal/mole-K) C3H8 120186C 3H 8 G 300.000 5000.000 1000.00 1 7.52521700e+00 1.88903400e-02-6.28392400e-06 9.17937300e-10-4.81241000e-14 2 -1.64645500e+04-1.78439000e+01 8.96920800e-01 2.66898600e-02 5.43142500e-06 3 -2.12600100e-08 9.24333000e-12-1.39549200e+04 1.93553300e+01 4 ! ! Species: C3O2 CAS Number: 504-64-3 ! Name: Carbon Suboxide ! Source: SNLL fit to 1986 JANAF tables, 12/12/86 ! H0(298K) = -22.3800 (Kcal/mole), S0(298K) = 65.9600 (cal/mole-K) C3O2 121286C 3O 2 G 300.000 5000.000 1000.00 1 8.09889700e+00 5.56004000e-03-2.31226500e-06 4.34070900e-10-3.03638700e-14 2 -1.42143500e+04-1.52197400e+01 4.01812700e+00 1.83666100e-02-1.90714800e-05 3 1.18558700e-08-3.41874800e-12-1.31282400e+04 5.58208400e+00 4 ! ! Species: C4 CAS Number: 12184-80-4 ! Name: Carbon Tetratomic ! Source: SNLL fit to 1986 JANAF tables, 12/12/86 ! H0(298K) = 232.000 (Kcal/mole), S0(298K) = 54.5400 (cal/mole-K) C4 121286C 4 G 300.000 5000.000 1000.00 1 6.50018000e+00 4.22863200e-03-1.79071800e-06 3.40481300e-10-2.40397800e-14 2 1.14340100e+05-1.14888900e+01 2.34302800e+00 1.64298100e-02-1.52798600e-05 3 7.34382600e-09-1.58227400e-12 1.15453800e+05 9.82620400e+00 4 ! ! Species: C4H CAS Number: 53561-65-2 ! Name: 1,3-Butadiynyl ! Source: Burcat (Technion Reports), 12/16/86 ! H0(298K) = 155.100 (Kcal/mole), S0(298K) = 60.9000 (cal/mole-K) C4H 121686C 4H 1 G 300.000 5000.000 1000.00 1 6.24288200e+00 6.19368300e-03-2.08593200e-06 3.08220300e-10-1.63648300e-14 2 7.56801900e+04-7.21080600e+00 5.02324700e+00 7.09237500e-03-6.07376200e-09 3 -2.27575200e-09 8.08699400e-13 7.62381300e+04-6.94259400e-02 4 ! ! Species: C4H10 CAS Number: 75-28-5 ! Name: Isobutane ! Source: SNL,L fit to BAC-MP4 data, 6/20/90 ! H0(298K) = -32.0200 (Kcal/mole), S0(298K) = 70.9400 (cal/mole-K) C4H10 62090C 4H 10 G 300.000 4000.000 1500.00 1 1.99878500e+01 1.03728100e-02-9.61081800e-07-4.62301800e-10 8.20282800e-14 2 -2.62557100e+04-8.83790700e+01-2.25661800e+00 5.88173200e-02-4.52578300e-05 3 2.03711500e-08-4.07945800e-12-1.76023300e+04 3.32959500e+01 4 ! ! Species: C4H2 CAS Number: 460-12-8 ! Name: Butadiyne ! Source: Burcat (LSU calculations), 12/16/86 ! H0(298K) = 111.700 (Kcal/mole), S0(298K) = 59.8000 (cal/mole-K) C4H2 121686C 4H 2 G 300.000 5000.000 1000.00 1 9.03140700e+00 6.04725300e-03-1.94878900e-06 2.75486300e-10-1.38560800e-14 2 5.29473600e+04-2.38506800e+01 4.00519200e+00 1.98100000e-02-9.86587700e-06 3 -6.63515800e-09 6.07741300e-12 5.42406500e+04 1.84573700e+00 4 ! ! Species: C4H6 CAS Number: 503-17-3 ! Name: 2-Butyne (Dimethylacetylene) ! Source: Burcat (Technion Reports), 12/01/86 ! H0(298K) = 34.9700 (Kcal/mole), S0(298K) = 68.2000 (cal/mole-K) C4H6 120186C 4H 6 G 300.000 5000.000 1000.00 1 8.04658300e+00 1.64852500e-02-5.52222700e-06 8.12359300e-10-4.29507800e-14 2 1.37013000e+04-1.80045800e+01 3.19710800e+00 2.02559200e-02 6.51019200e-06 3 -1.65844200e-08 6.40028200e-12 1.57152000e+04 9.89566000e+00 4 ! ! Species: C4H8 CAS Number: 106-98-9 ! Name: 1-Butene ! Source: Burcat (Technion Reports), 12/03/86 ! H0(298K) = -0.130000 (Kcal/mole), S0(298K) = 73.6000 (cal/mole-K) C4H8 120386C 4H 8 G 300.000 5000.000 1000.00 1 2.05358400e+00 3.43505100e-02-1.58832000e-05 3.30896600e-09-2.53610400e-13 2 -2.13972300e+03 1.55432000e+01 1.18113800e+00 3.08533800e-02 5.08652500e-06 3 -2.46548900e-08 1.11101900e-11-1.79040000e+03 2.10624700e+01 4 ! ! Species: C5 CAS Number: 12595-82-3 ! Name: Carbon Pentatomic ! Source: SNLL fit to 1986 JANAF tables, 12/12/86 ! H0(298K) = 234.000 (Kcal/mole), S0(298K) = 57.8100 (cal/mole-K) C5 121286C 5 G 300.000 5000.000 1000.00 1 8.07808100e+00 5.74346400e-03-2.43640500e-06 4.63891600e-10-3.27891000e-14 2 1.14702200e+05-1.95302400e+01 2.11527400e+00 2.32633200e-02-2.10949900e-05 3 9.07273400e-09-1.54009300e-12 1.16273800e+05 1.09760300e+01 4 ! ! Species: C5H CAS Number: 104602-63-3 ! Name: 2,4-Pentadiynylidyne ! Source: Burcat fit (Technion Reports), 2/03/87 ! H0(298K) = 186.000 (Kcal/mole), S0(298K) = 62.2000 (cal/mole-K) C5H 20387C 5H 1 G 300.000 5000.000 1000.00 1 8.69574900e+00 6.05430100e-03-2.01601100e-06 2.89289300e-10-1.47010000e-14 2 9.03106900e+04-2.10159500e+01 1.63482500e+00 2.50953800e-02-1.20663600e-05 3 -1.04651100e-08 8.80998800e-12 9.21248800e+04 1.51219400e+01 4 ! ! Species: C5H12 CAS Number: 109-66-0 ! Name: n-Pentane ! Source: Burcat fit (Technion Reports), 2/03/87 ! H0(298K) = -35.0000 (Kcal/mole), S0(298K) = 83.5000 (cal/mole-K) C5H12 20387C 5H 12 G 300.000 4000.000 1000.00 1 1.66779800e+01 2.11448300e-02-3.53332100e-06-5.74220200e-10 1.51594800e-13 2 -2.55367000e+04-6.37294000e+01 1.87790800e+00 4.12164600e-02 1.25323400e-05 3 -3.70153700e-08 1.52556900e-11-2.00381600e+04 1.87725700e+01 4 ! ! Species: C5H2 CAS Number: 117992-78-6 ! Name: 2,4-Pentadiynylidene ! Source: Burcat fit (Technion Reports), 2/05/87 ! H0(298K) = 165.200 (Kcal/mole), S0(298K) = 63.7000 (cal/mole-K) C5H2 20587C 5H 2 G 300.000 5000.000 1000.00 1 1.13291700e+01 7.42405700e-03-2.62818900e-06 4.08254100e-10-2.30133300e-14 2 7.87870600e+04-3.61711700e+01 3.06232200e+00 2.70999800e-02-1.00917000e-05 3 -1.27274500e-08 9.16721900e-12 8.11496900e+04 7.07107800e+00 4 ! ! Species: C5H5 CAS Number: 2143-53-5 ! Name: Cyclopentadienyl ! Source: SNL fit to BACMP4 data, 10/19/93 ! H0(298K) = 63.8300 (Kcal/mole), S0(298K) = 68.1000 (cal/mole-K) C5H5 101993H 5C 5 G 300.000 4000.000 1400.00 1 1.53109400e+01 7.47380600e-03-5.83745800e-07-4.38665100e-10 7.69683900e-14 2 2.52589000e+04-5.95159300e+01 1.00731600e+00 3.18988000e-02-4.74818900e-06 3 -1.10239000e-08 4.58468100e-12 3.04739000e+04 1.93416800e+01 4 ! ! Species: C5H6 CAS Number: 542-92-7 ! Name: Cyclopentadiene ! Source: Burcat fit (Technion Reports), 2/03/87 ! H0(298K) = 32.0000 (Kcal/mole), S0(298K) = 64.5000 (cal/mole-K) C5H6 20387C 5H 6 G 300.000 5000.000 1000.00 1 9.68981500e+00 1.83826200e-02-6.26488400e-06 9.39337700e-10-5.08770800e-14 2 1.10212400e+04-3.12290800e+01-3.19673900e+00 4.08136100e-02 6.81650500e-07 3 -3.13745900e-08 1.57722300e-11 1.52906800e+04 3.86993900e+01 4 ! ! Species: C6H CAS Number: 88053-50-3 ! Name: 1,3,5-Hexatrynyl Radical ! Source: Burcat (LSU calculations), 12/16/86 ! H0(298K) = 213.200 (Kcal/mole), S0(298K) = 74.1000 (cal/mole-K) C6H 121686C 6H 1 G 300.000 5000.000 1000.00 1 1.15873500e+01 7.29536300e-03-2.46600800e-06 3.40704600e-10-1.49818500e-14 2 1.03144800e+05-3.17257800e+01 4.76984800e+00 2.45727900e-02-7.56125200e-06 3 -1.48069100e-08 9.76805400e-12 1.04852300e+05 3.24153000e+00 4 ! ! Species: C6H10 CAS Number: 110-83-8 ! Name: Cyclohexene ! Source: Burcat fit (LSU calculations), 2/03/87 ! H0(298K) = -1.00000 (Kcal/mole), S0(298K) = 74.8000 (cal/mole-K) C6H10 20387C 6H 10 G 300.000 5000.000 1000.00 1 1.59277700e+01 2.37441300e-02-6.90867200e-06 8.10977700e-10-2.68312300e-14 2 -8.64265600e+03-6.52518600e+01-1.39422800e+00 4.72069300e-02 1.19604200e-05 3 -4.16289600e-08 1.74033600e-11-2.21779000e+03 3.12960400e+01 4 ! ! Species: C6H14 CAS Number: 110-54-3 ! Name: n-Hexane ! Source: Burcat fit (Technion Reports), 2/03/87 ! H0(298K) = -39.9000 (Kcal/mole), S0(298K) = 92.9000 (cal/mole-K) C6H14 20387C 6H 14 G 300.000 4000.000 1000.00 1 2.28047200e+01 2.09798900e-02-3.53067400e-06-5.46624500e-10 1.47895000e-13 2 -3.07375700e+04-9.58316200e+01 1.83617400e+00 5.09846100e-02 1.25958600e-05 3 -4.42836200e-08 1.87223700e-11-2.29275000e+04 2.08814500e+01 4 ! ! Species: C6H2 CAS Number: 3161-99-7 ! Name: 1,3,5-Hexatriyne ! Source: Burcat (LSU calculations), 12/16/86 ! H0(298K) = 169.700 (Kcal/mole), S0(298K) = 70.9000 (cal/mole-K) C6H2 121686C 6H 2 G 300.000 5000.000 1000.00 1 1.27565200e+01 8.03438100e-03-2.61821500e-06 3.72506000e-10-1.87885100e-14 2 8.07546900e+04-4.04126300e+01 5.75108500e+00 2.63672000e-02-1.16676000e-05 3 -1.07145000e-08 8.79029700e-12 8.26201300e+04-4.33553200e+00 4 ! ! Species: C6H3 CAS Number: 182180-13-8 ! Name: C6H3 Radical ! Source: Burcat fit (LSU calculations), 2/03/87 ! H0(298K) = 158.500 (Kcal/mole), S0(298K) = 76.3000 (cal/mole-K) C6H3 20387C 6H 3 G 300.000 5000.000 1000.00 1 1.27611800e+01 1.03855700e-02-3.47919300e-06 5.10973300e-10-2.69096500e-14 2 7.47770600e+04-3.89174500e+01 5.00709000e+00 2.69285200e-02-5.91986600e-06 3 -1.52723300e-08 9.40831000e-12 7.71320000e+04 2.22562100e+00 4 ! ! Species: C6H4 CAS Number: 462-80-6 ! Name: Ortho-benzyne ! Source: SNL fit to BAC-MP4 data, 11/12/93 ! H0(298K) = 99.6600 (Kcal/mole), S0(298K) = 68.2500 (cal/mole-K) C6H4 111293H 4C 6 G 300.000 4000.000 1000.00 1 1.40162500e+01 8.24276900e-03-8.09966400e-07-4.65413200e-10 8.74812200e-14 2 4.41039600e+04-5.13937600e+01 1.52002400e+00 2.87661100e-02 1.41772500e-06 3 -1.65058900e-08 5.87315700e-12 4.84489400e+04 1.71903400e+01 4 ! ! Species: C6H5 CAS Number: 2396-01-2 ! Name: Phenyl Radical ! Source: SNLL fit to BAC-MP4 data, 8/24/89 ! H0(298K) = 79.4200 (Kcal/mole), S0(298K) = 69.8100 (cal/mole-K) C6H5 82489C 6H 5 G 300.000 4000.000 1000.00 1 1.57758900e+01 9.65110900e-03-9.42941600e-07-5.46911100e-10 1.02652200e-13 2 3.30269800e+04-6.17628000e+01 1.14355700e-01 3.62732500e-02 1.15828600e-06 3 -2.19696500e-08 8.46355600e-12 3.83605400e+04 2.38011700e+01 4 ! ! Species: C6H5(L) CAS Number: 108773-39-3 ! Name: 1,3-Hexadien-5-ynyl ! Source: SNLL fit to BAC-MP4 data, 8/24/89 ! H0(298K) = 140.580 (Kcal/mole), S0(298K) = 83.3900 (cal/mole-K) C6H5(L) 82489C 6H 5 G 300.000 4000.000 1000.00 1 1.72154000e+01 8.62106800e-03-8.22134000e-07-4.75216400e-10 8.84408600e-14 2 6.38581900e+04-6.13912800e+01 4.85426900e+00 3.03165900e-02 1.74289300e-07 3 -1.81101000e-08 7.39251100e-12 6.79873400e+04 5.85493500e+00 4 ! ! Species: C6H5O CAS Number: 2122-46-5 ! Name: Phenoxy Radical ! Source: SNLL fit to BAC-MP4 data, 8/24/89 ! H0(298K) = 10.3400 (Kcal/mole), S0(298K) = 74.8600 (cal/mole-K) C6H5O 82489C 6H 5O 1 G 300.000 4000.000 1000.00 1 1.82263900e+01 1.00398500e-02-9.91566800e-07-5.67280400e-10 1.06837200e-13 2 -2.62084600e+03-7.36139100e+01 1.10749700e+00 3.95694600e-02 8.49729500e-07 3 -2.43631100e-08 9.65066000e-12 3.15967200e+03 1.97349600e+01 4 ! ! Species: C6H5OH CAS Number: 108-95-2 ! Name: Phenol ! Source: SNLL fit to BAC-MP4 data, 8/24/89 ! H0(298K) = -25.1300 (Kcal/mole), S0(298K) = 76.9600 (cal/mole-K) C6H5OH 82489C 6H 6O 1 G 300.000 4000.000 1000.00 1 1.82163300e+01 1.14242700e-02-1.09668400e-06-6.42744200e-10 1.19889300e-13 2 -2.05366400e+04-7.30423400e+01 1.39145600e+00 3.93195800e-02 1.77709600e-06 3 -2.27767300e-08 8.30965900e-12-1.47218100e+04 1.91781300e+01 4 ! ! Species: C6H6 CAS Number: 71-43-2 ! Name: Benzene ! Source: Burcat fit (LSU calculations), 2/03/87 ! H0(298K) = 19.8000 (Kcal/mole), S0(298K) = 64.4000 (cal/mole-K) C6H6 20387C 6H 6 G 300.000 5000.000 1000.00 1 1.29107400e+01 1.72329700e-02-5.02421100e-06 5.89349700e-10-1.94752100e-14 2 3.66451200e+03-5.00269900e+01-3.13801200e+00 4.72310300e-02-2.96220800e-06 3 -3.26281900e-08 1.71869200e-11 8.89003100e+03 3.65757300e+01 4 ! ! Species: C6H7 CAS Number: 12169-67-4 ! Name: Cyclohexadienyl Radical ! Source: SNLL fit to BAC-MP4 data, 8/24/89 ! H0(298K) = 47.9400 (Kcal/mole), S0(298K) = 73.0700 (cal/mole-K) C6H7 82489C 6H 7 G 300.000 4000.000 1000.00 1 1.75522100e+01 1.22708000e-02-1.18574200e-06-6.95966100e-10 1.30132600e-13 2 1.62458100e+04-7.16658900e+01 4.63916600e-01 3.97592800e-02 2.52909500e-06 3 -2.22379200e-08 7.55705300e-12 2.22516900e+04 2.23538700e+01 4 ! ! Species: C8H CAS Number: 88053-51-4 ! Name: 1,3,5,7-Octatetraynyl Radical ! Source: Burcat (LSU calculations), 12/16/86 ! H0(298K) = 288.900 (Kcal/mole), S0(298K) = 78.4000 (cal/mole-K) C8H 121686C 8H 1 G 300.000 5000.000 1000.00 1 1.47499100e+01 9.93150100e-03-3.37484100e-06 4.68759300e-10-2.07353600e-14 2 1.39944800e+05-4.89269000e+01 4.48950800e+00 3.52152100e-02-1.01939000e-05 3 -2.19702500e-08 1.42141600e-11 1.42599200e+05 3.99622500e+00 4 ! ! Species: C8H2 CAS Number: 6165-96-4 ! Name: 1,3,5,7-Octatetrayne ! Source: Burcat (LSU calculations), 12/16/86 ! H0(298K) = 226.200 (Kcal/mole), S0(298K) = 76.0000 (cal/mole-K) C8H2 121686C 8H 2 G 300.000 5000.000 1000.00 1 1.56802100e+01 1.11546100e-02-3.72437300e-06 5.19789100e-10-2.37555000e-14 2 1.08112300e+05-5.57143700e+01 4.63042700e+00 3.93708000e-02-1.14803500e-05 3 -2.56221400e-08 1.67079100e-11 1.10828500e+05 8.07742500e-01 4 ! ! Species: CA CAS Number: 7440-70-2 ! Name: Calcium Monatomic ! Source: SNL fit to 1986 JANAF data, 8/07/92 ! H0(298K) = 42.8500 (Kcal/mole), S0(298K) = 36.9900 (cal/mole-K) CA 80792CA 1 G 300.000 5000.000 1000.00 1 1.63699000e+00 1.93828100e-03-1.46401100e-06 4.27825700e-10-3.58168600e-14 2 2.10979900e+04 8.99061500e+00 1.56312000e+00 6.22836100e-03-1.41573200e-05 3 1.32396800e-08-4.37056900e-12 2.09219100e+04 8.37053700e+00 4 ! ! Species: CA(A) CAS Number: 7440-70-2 ! Name: Calcium, Alpha ! Source: SNL fit to 1986 JANAF data, 8/10/92 ! H0(298K) = 0.00000 (Kcal/mole), S0(298K) = 9.93000 (cal/mole-K) CA(A) 81092CA 1 S 300.000 1500.000 1000.00 1 3.34442400e+00-6.12955500e-06-2.04854900e-07 2.19957500e-10-6.49806700e-14 2 -1.02062400e+03-1.41088000e+01 2.49282600e+00 3.92128000e-03-7.24243600e-06 3 5.91927600e-09-1.80253100e-12-8.64190100e+02-1.01001800e+01 4 ! ! Species: CA(B) CAS Number: 7440-70-2 ! Name: Calcium, Beta ! Source: SNL fit to 1986 JANAF data, 8/10/92 ! H0(298K) = 0.120000 (Kcal/mole), S0(298K) = 10.1500 (cal/mole-K) CA(B) 81092CA 1 S 300.000 2000.000 1000.00 1 2.14966200e+00 2.29373400e-03 3.94838400e-07-1.81397800e-10 3.06099500e-14 2 -6.97058900e+02-7.86235000e+00 2.01334300e+00 2.71893500e-03-1.37449400e-07 3 1.52855300e-10-6.02368100e-14-6.61304100e+02-7.16844900e+00 4 ! ! Species: CA(L) CAS Number: 7440-70-2 ! Name: Calcium ! Source: SNL fit to 1986 JANAF data, 8/10/92 ! H0(298K) = 2.61000 (Kcal/mole), S0(298K) = 12.1100 (cal/mole-K) CA(L) 81092CA 1 L 300.000 3000.000 1000.00 1 3.62355300e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2 2.31001600e+02-1.45535400e+01 3.62355300e+00 0.00000000e+00 0.00000000e+00 3 0.00000000e+00 0.00000000e+00 2.31001600e+02-1.45535400e+01 4 ! ! Species: CA+ CAS Number: 14102-48-8 ! Name: Calcium, Positive Ion ! Source: SNL fit to 1986 JANAF data, 8/07/92 ! H0(298K) = 185.300 (Kcal/mole), S0(298K) = 38.3700 (cal/mole-K) CA+ 80792CA 1E -1 G 300.000 5000.000 1000.00 1 2.41542300e+00 3.14005300e-04-3.45803100e-07 1.35016300e-10-1.34216000e-14 2 9.25243400e+04 5.46818900e+00 2.27633800e+00 1.58198800e-03-3.87895300e-06 3 3.95370100e-09-1.42785600e-12 9.25353600e+04 6.00825800e+00 4 ! ! Species: CA2 CAS Number: 12595-85-6 ! Name: Calcium Diatomic ! Source: SNL fit to 1986 JANAF data, 8/07/92 ! H0(298K) = 82.6600 (Kcal/mole), S0(298K) = 61.2900 (cal/mole-K) CA2 80792CA 2 G 300.000 5000.000 1000.00 1 4.17479800e+00-7.40183800e-04 3.13119600e-07-5.88557700e-11 4.29657800e-15 2 4.05222100e+04 7.58238000e+00 5.60486700e+00-4.04440800e-03 2.45463800e-06 3 -1.49506400e-10-1.72418400e-13 4.00884200e+04 1.16723400e-02 4 ! ! Species: CABR CAS Number: 10024-43-8 ! Name: Calcium Monobromide ! Source: SNL fit to 1986 JANAF data, 8/07/92 ! H0(298K) = -11.8100 (Kcal/mole), S0(298K) = 60.4200 (cal/mole-K) CABR 80792BR 1CA 1 G 300.000 5000.000 1000.00 1 4.31200800e+00 4.24680400e-04-2.53636000e-07 7.08242100e-11-5.50823900e-15 2 -7.24250900e+03 5.72141400e+00 4.00402000e+00 1.92777000e-03-2.74938800e-06 3 1.78501200e-09-4.19044200e-13-7.19998700e+03 7.12570000e+00 4 ! ! Species: CABR2 CAS Number: 7789-41-5 ! Name: Calcium Dibromide ! Source: SNL fit to 1986 JANAF data, 8/07/92 ! H0(298K) = -92.0000 (Kcal/mole), S0(298K) = 75.2000 (cal/mole-K) CABR2 80792BR 2CA 1 G 300.000 5000.000 1000.00 1 7.38843400e+00 1.39301700e-04-6.56161900e-08 1.34274800e-11-9.99327200e-16 2 -4.85278700e+04-4.33776000e+00 6.90205300e+00 1.59931600e-03-1.15472300e-06 3 -2.42879500e-10 3.70782200e-13-4.84187300e+04-1.90092900e+00 4 ! ! Species: CABR2(S) CAS Number: 7789-41-5 ! Name: Calcium Dibromide ! Source: SNL fit to 1986 JANAF data, 8/12/92 ! H0(298K) = -163.300 (Kcal/mole), S0(298K) = 31.0000 (cal/mole-K) CABR2(S) 81292BR 2CA 1 S 300.000 1500.000 1000.00 1 1.07620000e+01-2.97924700e-03 6.95051100e-07 3.56977800e-09-1.38222400e-12 2 -8.54223500e+04-4.52489500e+01 5.47853600e+00 2.20932500e-02-4.54446000e-05 3 4.17654300e-08-1.32272600e-11-8.44751600e+04-2.05253800e+01 4 ! ! Species: CACL CAS Number: 15606-71-0 ! Name: Calcium Monochloride ! Source: SNL fit to 1986 JANAF data, 8/07/92 ! H0(298K) = -25.0000 (Kcal/mole), S0(298K) = 57.7100 (cal/mole-K) CACL 80792CA 1CL 1 G 300.000 5000.000 1000.00 1 4.27219700e+00 4.61277000e-04-2.68455400e-07 7.23302200e-11-5.56581300e-15 2 -1.38793300e+04 4.55615300e+00 3.81054900e+00 2.37214400e-03-2.93938000e-06 3 1.52816600e-09-2.39696200e-13-1.37999400e+04 6.74295500e+00 4 ! ! Species: CACL2 CAS Number: 10043-52-4 ! Name: Calcium Dichloride ! Source: SNL fit to 1986 JANAF data, 8/07/92 ! H0(298K) = -112.700 (Kcal/mole), S0(298K) = 69.3500 (cal/mole-K) CACL2 80792CA 1CL 2 G 300.000 5000.000 1000.00 1 7.32296900e+00 2.20154600e-04-1.03566400e-07 2.11757400e-11-1.57520100e-15 2 -5.89395300e+04-6.95942600e+00 6.59598300e+00 2.36423500e-03-1.61180700e-06 3 -4.86645700e-10 5.97391200e-13-5.87746700e+04-3.30800900e+00 4 ! ! Species: CACL2(S) CAS Number: 10043-52-4 ! Name: Calcium Dichloride ! Source: SNL fit to 1986 JANAF data, 8/10/92 ! H0(298K) = -190.200 (Kcal/mole), S0(298K) = 25.0000 (cal/mole-K) CACL2(S) 81092CA 1CL 2 S 300.000 2000.000 1000.00 1 6.74901300e+00 3.69454200e-03-2.19998000e-07 1.16554900e-10-2.19389800e-14 2 -9.75925500e+04-2.62977700e+01 5.72215500e+00 1.83610000e-02-3.59729600e-05 3 3.17305400e-08-9.52256300e-12-9.79846400e+04-2.41573000e+01 4 ! ! Species: CAF CAS Number: 13827-26-4 ! Name: Calcium Monofluoride ! Source: SNL fit to 1986 JANAF data, 8/07/92 ! H0(298K) = -65.0000 (Kcal/mole), S0(298K) = 54.8600 (cal/mole-K) CAF 80792CA 1F 1 G 300.000 5000.000 1000.00 1 4.15048900e+00 5.74608600e-04-3.08144800e-07 7.58546800e-11-5.64127000e-15 2 -3.40029000e+04 3.72519300e+00 3.30944600e+00 3.41915500e-03-3.35720800e-06 3 1.00451000e-09 1.11262700e-13-3.38233200e+04 7.87612100e+00 4 ! ! Species: CAF2 CAS Number: 7789-75-5 ! Name: Calcium Difluoride ! Source: SNL fit to 1986 JANAF data, 8/07/92 ! H0(298K) = -187.500 (Kcal/mole), S0(298K) = 65.4100 (cal/mole-K) CAF2 80792CA 1F 2 G 300.000 5000.000 1000.00 1 6.57508300e+00 5.17219400e-04-2.40380400e-07 4.87634700e-11-3.60852600e-15 2 -9.64158800e+04-4.86836200e+00 5.02332000e+00 4.92128500e-03-3.12941800e-06 3 -1.17831300e-09 1.26020100e-12-9.60491300e+04 2.98436300e+00 4 ! ! Species: CAH2O2 CAS Number: 1305-62-0 ! Name: Calcium Dihydroxide ! Source: SNL fit to 1986 JANAF data, 8/12/92 ! H0(298K) = -145.980 (Kcal/mole), S0(298K) = 68.2300 (cal/mole-K) CAH2O2 81292CA 1H 2O 2 G 300.000 5000.000 1000.00 1 8.62717000e+00 3.35366800e-03-1.12355300e-06 1.80164200e-10-1.12269600e-14 2 -7.61787700e+04-1.58283800e+01 5.63498400e+00 1.43122500e-02-1.16077400e-05 3 2.41532800e-10 2.44519400e-12-7.56777700e+04-1.51014100e+00 4 ! ! Species: CAH2O2(S) CAS Number: 1305-62-0 ! Name: Calcium Dihydroxide ! Source: SNL fit to 1986 JANAF data, 8/12/92 ! H0(298K) = -235.680 (Kcal/mole), S0(298K) = 19.9300 (cal/mole-K) CAH2O2(S) 81292CA 1H 2O 2 S 300.000 1000.000 1000.00 1 1.41855600e+01 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2 -1.23706600e+05-7.26899500e+01-7.90691000e-01 6.79564700e-02-1.32991800e-04 3 1.21186200e-07-4.11745600e-11-1.20439600e+05-7.99978900e-01 4 ! ! Species: CAI CAS Number: 15923-87-2 ! Name: Calcium Monoiodide ! Source: SNL fit to 1986 JANAF data, 8/07/92 ! H0(298K) = -1.21000 (Kcal/mole), S0(298K) = 62.4300 (cal/mole-K) CAI 80792CA 1I 1 G 300.000 5000.000 1000.00 1 4.31612800e+00 4.13858900e-04-2.77638500e-07 8.07414100e-11-6.59282600e-15 2 -1.90387900e+03 6.72516300e+00 4.07820500e+00 1.81296800e-03-2.97284600e-06 3 2.22552000e-09-6.17349700e-13-1.88115100e+03 7.75493600e+00 4 ! ! Species: CAI2 CAS Number: 10102-68-8 ! Name: Calcium Diiodide ! Source: SNL fit to 1986 JANAF data, 8/07/92 ! H0(298K) = -61.7000 (Kcal/mole), S0(298K) = 78.2600 (cal/mole-K) CAI2 80792CA 1I 2 G 300.000 5000.000 1000.00 1 7.40336600e+00 1.20876200e-04-5.69830600e-08 1.16715200e-11-8.69604900e-16 2 -3.32803900e+04-2.87020400e+00 6.97530700e+00 1.41368300e-03-1.04635900e-06 3 -1.75765500e-10 3.11195800e-13-3.31845000e+04-7.26929200e-01 4 ! ! Species: CAO CAS Number: 1305-78-8 ! Name: Calcium Oxide ! Source: SNL fit to 1986 JANAF data, 8/07/92 ! H0(298K) = 10.5000 (Kcal/mole), S0(298K) = 52.4900 (cal/mole-K) CAO 80792CA 1O 1 G 300.000 5000.000 1000.00 1 8.66572300e+00-9.85725500e-03 7.27713700e-06-1.81387400e-09 1.47753800e-13 2 2.56642300e+03-2.15198500e+01 7.27706900e+00-2.47719400e-02 6.31316600e-05 3 -6.32242300e-08 2.20069300e-11 3.77499800e+03-9.93462000e+00 4 ! ! Species: CAO(S) CAS Number: 1305-78-8 ! Name: Calcium Oxide ! Source: SNL fit to 1986 JANAF data, 8/10/92 ! H0(298K) = -151.790 (Kcal/mole), S0(298K) = 9.13000 (cal/mole-K) CAO(S) 81092CA 1O 1 S 300.000 3600.000 1000.00 1 5.18449700e+00 1.93833700e-03-8.93252500e-07 2.41068900e-10-2.38961300e-14 2 -7.80639000e+04-2.56266900e+01 2.96446600e+00 9.46471900e-03-7.94813100e-06 3 6.51795800e-10 1.31390200e-12-7.76256700e+04-1.47615600e+01 4 ! ! Species: CAOH CAS Number: 12177-67-2 ! Name: Calcium Monohydroxide ! Source: SNL fit to 1986 JANAF data, 8/07/92 ! H0(298K) = -46.3400 (Kcal/mole), S0(298K) = 56.2500 (cal/mole-K) CAOH 80792CA 1H 1O 1 G 300.000 5000.000 1000.00 1 5.16497700e+00 1.97464400e-03-7.75740300e-07 1.50738500e-10-1.04883100e-14 2 -2.49359700e+04-1.69034400e+00 3.59680300e+00 8.18287400e-03-7.86351500e-06 3 1.97429300e-09 6.13675500e-13-2.46900400e+04 5.71398300e+00 4 ! ! Species: CAOH+ CAS Number: 36812-31-4 ! Name: Calcium Monohydroxide, Positive Ion ! Source: SNL fit to 1986 JANAF data, 8/07/92 ! H0(298K) = 88.2100 (Kcal/mole), S0(298K) = 54.9200 (cal/mole-K) CAOH+ 80792CA 1H 1O 1E -1G 300.000 5000.000 1000.00 1 5.29339000e+00 1.69795300e-03-5.70484700e-07 9.16919900e-11-5.72415500e-15 2 4.27415700e+04-3.04125500e+00 3.76602200e+00 7.25186900e-03-5.90395700e-06 3 2.06351400e-10 1.18653800e-12 4.30026900e+04 4.28595900e+00 4 ! ! Species: CAS CAS Number: 20548-54-3 ! Name: Calcium Monosulfide ! Source: SNL fit to 1986 JANAF data, 8/07/92 ! H0(298K) = 29.5400 (Kcal/mole), S0(298K) = 55.5600 (cal/mole-K) CAS 80792CA 1S 1 G 300.000 5000.000 1000.00 1 4.07772600e+00-2.14889600e-03 3.59516400e-06-1.16727200e-09 1.10121800e-13 2 1.40103800e+04 5.79775000e+00 5.04591800e+00-9.24823400e-03 3.17602700e-05 3 -4.00722300e-08 1.69811200e-11 1.35555300e+04 8.77067900e-01 4 ! ! Species: CCL CAS Number: 3889-76-7 ! Name: Carbon Monochloride ! Source: SNL fit to BAC-MP4 data, 4/09/92 ! H0(298K) = 106.100 (Kcal/mole), S0(298K) = 52.4600 (cal/mole-K) CCL 40992C 1CL 1 G 300.000 4000.000 1500.00 1 4.30601000e+00 1.81686100e-04-7.18432600e-08 1.35447900e-11-1.00247900e-15 2 5.19880800e+04 1.55859300e+00 2.87144100e+00 4.70926800e-03-5.62905200e-06 3 3.08660900e-09-6.37975600e-13 5.23763100e+04 8.85937300e+00 4 ! ! Species: CCL2 CAS Number: 1605-72-7 ! Name: Carbon Dichloride ! Source: SNL fit to BAC-MP4 data, 4/09/92 ! H0(298K) = 53.0200 (Kcal/mole), S0(298K) = 63.2900 (cal/mole-K) CCL2 40992C 1CL 2 G 300.000 4000.000 1500.00 1 6.63243500e+00 3.55883100e-04-1.50759200e-07 3.11624300e-11-2.54649600e-15 2 2.44363600e+04-6.59013700e+00 3.32957900e+00 1.11285300e-02-1.37589100e-05 3 7.72632900e-09-1.62407000e-12 2.53040800e+04 1.01097500e+01 4 ! ! Species: CCL2CCLO CAS Number: 41970-16-5 ! Name: 1,1,2-Trichloro-2-oxo-ethyl Radical (2A") ! Source: SNL fit to BAC-MP4 data, 4/09/92 ! H0(298K) = -24.2700 (Kcal/mole), S0(298K) = 85.0600 (cal/mole-K) CCL2CCLO 40992C 2O 1CL 3 G 300.000 4000.000 1500.00 1 1.49738000e+01 9.00418000e-04-3.71428700e-07 5.60271600e-11-2.39217000e-15 2 -1.78171800e+04-4.51070400e+01 5.06611400e+00 2.84667300e-02-3.11300100e-05 3 1.60548300e-08-3.20850200e-12-1.47435400e+04 6.66310100e+00 4 ! ! Species: CCL2CCLOH CAS Number: 3207-80-5 ! Name: Trichlorovinyl Alcohol ! Source: SNLL fit to BAC-MP4 data, 5/30/90 ! H0(298K) = -44.6600 (Kcal/mole), S0(298K) = 83.0900 (cal/mole-K) CCL2CCLOH 53090C 2H 1O 1CL 3G 300.000 5000.000 1500.00 1 1.56725900e+01 2.21876600e-03-4.42523900e-07 6.26172500e-12 3.67350700e-15 2 -2.85536100e+04-5.08522400e+01 4.60211700e+00 3.40884200e-02-3.83690900e-05 3 2.12027100e-08-4.52714300e-12-2.50794500e+04 6.85977600e+00 4 ! ! Species: CCL2CH CAS Number: 134153-49-4 ! Name: 2,2-Dichlorovinyl Radical (2A') ! Source: SNL fit to BAC-MP4 data, 4/09/92 ! H0(298K) = 62.3000 (Kcal/mole), S0(298K) = 71.9500 (cal/mole-K) CCL2CH 40992H 1C 2CL 2 G 300.000 4000.000 1500.00 1 1.10122300e+01 1.36447700e-03-3.49700100e-07 1.10746600e-11 3.84429800e-15 2 2.70621800e+04-2.88625800e+01 2.96173600e+00 2.42942300e-02-2.73140300e-05 3 1.49318400e-08-3.16296600e-12 2.96023300e+04 1.31748600e+01 4 ! ! Species: CCL2HOO CAS Number: 73761-31-6 ! Name: Dichloromethylperoxy Radical (HCOO gauche) ! Source: SNLL fit to BAC-MP4 data, 5/30/90 ! H0(298K) = -1.37000 (Kcal/mole), S0(298K) = 78.3000 (cal/mole-K) CCL2HOO 53090C 1H 1O 2CL 2G 300.000 5000.000 1500.00 1 1.27396700e+01 1.67178900e-03-3.28007300e-07 9.23902400e-12 2.18393800e-15 2 -5.66504100e+03-3.55258400e+01 3.42541700e+00 2.74554400e-02-2.97383200e-05 3 1.58839100e-08-3.30942800e-12-2.67552900e+03 1.33347400e+01 4 ! ! Species: CCL2OHCH2 CAS Number: 363187-18-2 ! Name: 2,2,2-Dichlorohydroxyethyl Radical ! Source: SNLL fit to BAC-MP4 data, 5/30/90 ! H0(298K) = -22.7700 (Kcal/mole), S0(298K) = 79.9100 (cal/mole-K) CCL2OHCH2 53090C 2H 3O 1CL 2G 300.000 5000.000 1500.00 1 1.60635500e+01 2.85641200e-03-5.56423800e-07 2.05641600e-11 2.87136500e-15 2 -1.75611500e+04-5.43845500e+01 2.87095900e+00 4.46227300e-02-5.37794600e-05 3 3.09318500e-08-6.71923800e-12-1.37963600e+04 1.30546600e+01 4 ! ! Species: CCL2OHCHCL CAS Number: 28213-62-9 ! Name: 1,2,2-Trichloro-2-hydroxyethyl Radical ! Source: SNLL fit to BAC-MP4 data, 5/30/90 ! H0(298K) = -31.6900 (Kcal/mole), S0(298K) = 87.5700 (cal/mole-K) CCL2OHCHCL 53090C 2H 2O 1CL 3G 300.000 5000.000 1500.00 1 1.68147400e+01 2.43342100e-03-4.71731100e-07 1.59532700e-11 2.64719700e-15 2 -2.21711500e+04-5.40690400e+01 5.48726400e+00 3.71954000e-02-4.39138600e-05 3 2.50146500e-08-5.41785900e-12-1.88213400e+04 4.23753700e+00 4 ! ! Species: CCL3 CAS Number: 3170-80-7 ! Name: Trichloromethyl Radical ! Source: SNL fit to BAC-MP4 data, 4/09/92 ! H0(298K) = 16.5800 (Kcal/mole), S0(298K) = 72.2000 (cal/mole-K) CCL3 40992C 1CL 3 G 300.000 4000.000 1500.00 1 9.37585900e+00 5.72323700e-04-2.24239800e-07 4.23866600e-11-3.17483400e-15 2 5.11314700e+03-1.81330400e+01 4.29282200e+00 1.68237900e-02-2.04442000e-05 3 1.13580500e-08-2.37149300e-12 6.47775600e+03 7.67787400e+00 4 ! ! Species: CCL3CCLH2 CAS Number: 630-20-6 ! Name: 1,1,1,2-Tetrachloroethane ! Source: SNLL fit to BAC-MP4 data, 5/30/90 ! H0(298K) = -35.2900 (Kcal/mole), S0(298K) = 85.5700 (cal/mole-K) CCL3CCLH2 53090C 2H 2CL 4 G 300.000 5000.000 1500.00 1 1.78861900e+01 2.28123500e-03-4.74659800e-07 1.96266700e-11 2.45176800e-15 2 -2.49633500e+04-6.31288300e+01 3.46350800e+00 4.14480500e-02-4.42105300e-05 3 2.32052500e-08-4.77252500e-12-2.02814400e+04 1.27595600e+01 4 ! ! Species: CCL3CCLO CAS Number: 76-02-8 ! Name: Trichloroacetyl Chloride ! Source: SNL fit to BAC-MP4 data, 4/09/92 ! H0(298K) = -56.4900 (Kcal/mole), S0(298K) = 89.9900 (cal/mole-K) CCL3CCLO 40992C 2O 1CL 4 G 300.000 4000.000 1500.00 1 1.68740100e+01 1.34187600e-03-4.55500600e-07 7.17833300e-11-4.34864100e-15 2 -3.44227800e+04-5.29502500e+01 6.33416700e+00 3.46117100e-02-4.17379100e-05 3 2.32468600e-08-4.88245100e-12-3.15212100e+04 7.69765400e-01 4 ! ! Species: CCL3CH2 CAS Number: 23273-89-4 ! Name: 2,2,2-Trichloroethyl Radical ! Source: SNLL fit to BAC-MP4 data, 5/30/90 ! H0(298K) = 18.7900 (Kcal/mole), S0(298K) = 81.6100 (cal/mole-K) CCL3CH2 53090C 2H 2CL 3 G 300.000 5000.000 1500.00 1 1.46824300e+01 2.20264900e-03-3.96069000e-07 2.31928000e-12 3.65552100e-15 2 3.87553100e+03-4.49523000e+01 5.00813200e+00 3.03110300e-02-3.45362000e-05 3 1.95104900e-08-4.24584000e-12 6.93658800e+03 5.47464000e+00 4 ! ! Species: CCL3CHCL CAS Number: 23425-39-0 ! Name: 1,2,2,2-Tetrachloroethyl Radical ! Source: SNLL fit to BAC-MP4 data, 5/30/90 ! H0(298K) = 11.0600 (Kcal/mole), S0(298K) = 88.4000 (cal/mole-K) CCL3CHCL 53090C 2H 1CL 4 G 300.000 5000.000 1500.00 1 1.61019800e+01 1.59722300e-03-4.06989200e-07 4.15808300e-11-1.10563500e-15 2 -2.31881400e+02-4.93657300e+01 5.76192900e+00 3.43348200e-02-4.16398000e-05 3 2.36234100e-08-5.05418200e-12 2.66392000e+03 3.39958800e+00 4 ! ! Species: CCL3CHO CAS Number: 75-87-6 ! Name: Trichloroacetaldehyde ! Source: SNLL fit to BAC-MP4 data, 5/30/90 ! H0(298K) = -45.5100 (Kcal/mole), S0(298K) = 83.7100 (cal/mole-K) CCL3CHO 53090C 2H 1O 1CL 3G 300.000 5000.000 1500.00 1 1.53213500e+01 1.91422800e-03-3.62277700e-07 5.52656400e-12 3.01620200e-15 2 -2.88649900e+04-4.77451600e+01 5.01686700e+00 2.96190200e-02-3.14032100e-05 3 1.66664300e-08-3.48166200e-12-2.54492100e+04 6.64442200e+00 4 ! ! Species: CCL3OO CAS Number: 69884-58-8 ! Name: Trichloromethylperoxy Radical ! Source: SNLL fit to BAC-MP4 data, 5/30/90 ! H0(298K) = -0.740000 (Kcal/mole), S0(298K) = 83.1400 (cal/mole-K) CCL3OO 53090C 1O 2CL 3 G 300.000 5000.000 1500.00 1 1.47324900e+01 8.34510200e-04-3.62794400e-07 7.10115900e-11-5.16589700e-15 2 -5.52664400e+03-4.38196100e+01 4.31742000e+00 3.48641400e-02-4.28709400e-05 3 2.37195000e-08-4.90387100e-12-2.85591200e+03 8.72069300e+00 4 ! ! Species: CCL4 CAS Number: 56-23-5 ! Name: Carbon Tetrachloride ! Source: SNL fit to BAC-MP4 data, 4/09/92 ! H0(298K) = -20.2200 (Kcal/mole), S0(298K) = 78.9100 (cal/mole-K) CCL4 40992C 1CL 4 G 300.000 4000.000 1500.00 1 1.22257000e+01 7.44027500e-04-3.14165800e-07 6.49938300e-11-5.33031900e-15 2 -1.43993100e+04-3.13356600e+01 5.10711100e+00 2.40246900e-02-2.98059300e-05 3 1.67833100e-08-3.53525300e-12-1.25319800e+04 4.64084500e+00 4 ! ! Species: CCLH2OO CAS Number: 73761-32-7 ! Name: Chloromethylperoxy Radical ! Source: SNLL fit to BAC-MP4 data, 5/30/90 ! H0(298K) = 1.22000 (Kcal/mole), S0(298K) = 71.0600 (cal/mole-K) CCLH2OO 53090C 1H 2O 2CL 1G 300.000 5000.000 1500.00 1 1.13135100e+01 2.33064500e-03-3.54637600e-07-2.06408700e-11 6.15408200e-15 2 -4.22559000e+03-3.18382900e+01 1.58354100e+00 2.74539500e-02-2.80315500e-05 3 1.49159800e-08-3.17272000e-12-8.34080200e+02 1.99902300e+01 4 ! ! Species: CH CAS Number: 3315-37-5 ! Name: Methylidyne ! Source: SNLL fit to 1986 JANAF tables, 12/12/86 ! H0(298K) = 142.000 (Kcal/mole), S0(298K) = 43.7200 (cal/mole-K) CH 121286C 1H 1 G 300.000 5000.000 1000.00 1 2.19622300e+00 2.34038100e-03-7.05820100e-07 9.00758200e-11-3.85504000e-15 2 7.08672300e+04 9.17837300e+00 3.20020200e+00 2.07287600e-03-5.13443100e-06 3 5.73389000e-09-1.95553300e-12 7.04525900e+04 3.33158800e+00 4 ! ! Species: CH+ CAS Number: 24361-82-8 ! Name: Methylidyne, Positive Ion ! Source: SNLL fit to 1986 JANAF tables, 12/12/86 ! H0(298K) = 388.800 (Kcal/mole), S0(298K) = 41.0000 (cal/mole-K) CH+ 121286C 1H 1E -1 G 300.000 5000.000 1000.00 1 2.75335800e+00 1.55290000e-03-5.36845300e-07 8.92177200e-11-5.41680100e-15 2 1.94846700e+05 4.65489200e+00 3.32720700e+00 1.34705100e-03-3.89586100e-06 3 5.12939000e-09-2.05457600e-12 1.94645200e+05 1.40847400e+00 4 ! ! Species: CH2 CAS Number: 2465-56-7 ! Name: Methylene, Triplet ! Source: SNLL fit to BAC-MP4 data, 12/01/86 ! H0(298K) = 92.4800 (Kcal/mole), S0(298K) = 46.7200 (cal/mole-K) CH2 120186C 1H 2 G 250.000 4000.000 1000.00 1 3.63640800e+00 1.93305700e-03-1.68701600e-07-1.00989900e-10 1.80825600e-14 2 4.53413400e+04 2.15656100e+00 3.76223700e+00 1.15981900e-03 2.48958500e-07 3 8.80083600e-10-7.33243500e-13 4.53679100e+04 1.71257800e+00 4 ! ! Species: CH2(S) CAS Number: 2465-56-7 ! Name: Methylene, Singlet ! Source: fit to BAC-MP4 data with H298=101.5 per Miller, 3/12/87 ! H0(298K) = 101.500 (Kcal/mole), S0(298K) = 45.1000 (cal/mole-K) CH2(S) 31287C 1H 2 G 300.000 4000.000 1000.00 1 3.55288900e+00 2.06678800e-03-1.91411600e-07-1.10467300e-10 2.02135000e-14 2 4.98497500e+04 1.68657000e+00 3.97126500e+00-1.69908900e-04 1.02536900e-06 3 2.49255100e-09-1.98126600e-12 4.98936800e+04 5.75320700e-02 4 ! ! Species: CH2CCL CAS Number: 50663-45-1 ! Name: 1-Chlorovinyl Radical ! Source: SNLL fit to BAC-MP4 data, 5/30/90 ! H0(298K) = 61.4300 (Kcal/mole), S0(298K) = 64.2400 (cal/mole-K) CH2CCL 53090C 2H 2CL 1 G 300.000 5000.000 1500.00 1 9.11780500e+00 2.33601500e-03-3.46639000e-07-3.58480900e-11 8.15432800e-15 2 2.69736600e+04-2.25174200e+01 1.55317700e+00 2.24315900e-02-2.36695000e-05 3 1.32327000e-08-2.93182300e-12 2.96233900e+04 1.76930300e+01 4 ! ! Species: CH2CCL2 CAS Number: 75-35-4 ! Name: 1,1-Dichloroethylene ! Source: SNLL fit to BAC-MP4 data, 5/30/90 ! H0(298K) = 0.750000 (Kcal/mole), S0(298K) = 68.8400 (cal/mole-K) CH2CCL2 53090C 2H 2CL 2 G 300.000 5000.000 1500.00 1 1.16945100e+01 2.43598200e-03-3.73304500e-07-1.41941200e-11 5.19933700e-15 2 -4.60197500e+03-3.54741500e+01 1.52716600e+00 2.98378000e-02-3.17109700e-05 3 1.72838000e-08-3.70963800e-12-1.17398600e+03 1.82754000e+01 4 ! ! Species: CH2CCLOH CAS Number: 129278-03-1 ! Name: 1-Chlorovinyl Alcohol ! Source: SNLL fit to BAC-MP4 data, 5/30/90 ! H0(298K) = -37.0100 (Kcal/mole), S0(298K) = 69.0000 (cal/mole-K) CH2CCLOH 53090C 2H 3O 1CL 1G 300.000 5000.000 1500.00 1 1.26760100e+01 3.20139200e-03-4.78887800e-07-2.13610400e-11 7.03079600e-15 2 -2.40237900e+04-4.12849800e+01 6.64784000e-01 3.72316800e-02-4.11520600e-05 3 2.30713500e-08-5.02160900e-12-2.01231800e+04 2.16527000e+01 4 ! ! Species: CH2CHCCH CAS Number: 689-97-4 ! Name: But-1-yn-3-ene (Planar Cs) ! Source: SNLL fit to BAC-MP4 data, 8/24/89 ! H0(298K) = 69.1400 (Kcal/mole), S0(298K) = 66.4900 (cal/mole-K) CH2CHCCH 82489C 4H 4 G 300.000 4000.000 1000.00 1 1.06977700e+01 6.98201400e-03-6.56774700e-07-3.88451700e-10 7.20094600e-14 2 3.03480300e+04-3.12843000e+01 3.23389300e+00 1.86563400e-02 1.27032000e-06 3 -9.41009600e-09 2.95611100e-12 3.30109700e+04 9.92267600e+00 4 ! ! Species: CH2CHCCH2 CAS Number: 89829-51-6 ! Name: 2,3-Butadienyl Radical (Cs 2A") ! Source: SNLL fit to BAC-MP4 data, 8/24/89 ! H0(298K) = 74.1100 (Kcal/mole), S0(298K) = 74.7000 (cal/mole-K) CH2CHCCH2 82489C 4H 5 G 300.000 4000.000 1000.00 1 1.19977600e+01 7.99058000e-03-8.09817300e-07-4.56873300e-10 8.63691000e-14 2 3.22849300e+04-3.52849500e+01 3.87944300e+00 1.99766400e-02 1.87277700e-06 3 -9.30695300e-09 2.38611600e-12 3.52685900e+04 9.84215200e+00 4 ! ! Species: CH2CHCH2 CAS Number: 1981-80-2 ! Name: Prop-2-enyl (Allyl Radical C2v) ! Source: SNLL fit to BAC-MP4 data, 8/24/89 ! H0(298K) = 38.7000 (Kcal/mole), S0(298K) = 64.3900 (cal/mole-K) CH2CHCH2 82489C 3H 5 G 300.000 4000.000 1000.00 1 9.65153900e+00 8.07559600e-03-7.96542400e-07-4.65069600e-10 8.60328000e-14 2 1.53009600e+04-2.68677400e+01 2.27648600e+00 1.98556400e-02 1.12384200e-06 3 -1.01457600e-08 3.44134200e-12 1.78949700e+04 1.37251500e+01 4 ! ! Species: CH2CHCHCH CAS Number: 86181-68-2 ! Name: 1,3-Butadienyl (2A' CCCC trans HCCH cis) ! Source: SNLL fit to BAC-MP4 data, 8/24/89 ! H0(298K) = 86.1300 (Kcal/mole), S0(298K) = 72.7500 (cal/mole-K) CH2CHCHCH 82489C 4H 5 G 300.000 4000.000 1000.00 1 1.28659700e+01 7.94336900e-03-8.62646600e-07-4.65563500e-10 8.95113100e-14 2 3.78355200e+04-4.18250200e+01 2.99524000e+00 2.28845600e-02 1.97547100e-06 3 -1.14824500e-08 3.19782400e-12 4.14221800e+04 1.28945400e+01 4 ! ! Species: CH2CHCHCH2 CAS Number: 106-99-0 ! Name: Trans-1,3-Butadiene ! Source: SNLL fit to BAC-MP4 data, 12/01/89 ! H0(298K) = 28.3300 (Kcal/mole), S0(298K) = 69.7400 (cal/mole-K) CH2CHCHCH2 120189C 4H 6 G 300.000 4000.000 1000.00 1 1.25443700e+01 9.59652500e-03-9.18701200e-07-5.42964000e-10 1.00536400e-13 2 8.59733000e+03-4.21745100e+01 1.93162400e+00 2.47903000e-02 3.01807100e-06 3 -1.15468600e-08 2.58662300e-12 1.25546800e+04 1.70199900e+01 4 ! ! Species: CH2CHCL CAS Number: 75-01-4 ! Name: Chloroethylene ! Source: SNLL fit to BAC-MP4 data, 5/30/90 ! H0(298K) = 4.69000 (Kcal/mole), S0(298K) = 63.0300 (cal/mole-K) CH2CHCL 53090C 2H 3CL 1 G 300.000 5000.000 1500.00 1 1.02982000e+01 3.04292600e-03-3.88139000e-07-4.92556500e-11 1.00507200e-14 2 -2.49289900e+03-3.10861400e+01 1.11802600e-01 2.79635800e-02-2.72655900e-05 3 1.46325700e-08-3.20407500e-12 1.28784400e+03 2.38161700e+01 4 ! ! Species: CH2CL CAS Number: 6806-86-6 ! Name: Monochloromethyl Radical ! Source: SNLL fit to BAC-MP4 data, 5/30/90 ! H0(298K) = 27.0800 (Kcal/mole), S0(298K) = 59.2800 (cal/mole-K) CH2CL 53090C 1H 2CL 1 G 300.000 5000.000 1500.00 1 6.82251500e+00 1.65974400e-03-2.07551500e-07-2.79351800e-11 5.50908700e-15 2 1.08045400e+04-1.09050400e+01 2.41992400e+00 1.30331700e-02-1.35655900e-05 3 7.83610800e-09-1.80053500e-12 1.24311200e+04 1.26984500e+01 4 ! ! Species: CH2CL2 CAS Number: 75-09-2 ! Name: Dichloromethane ! Source: SNLL fit to 1986 JANAF data, 11/29/89 ! H0(298K) = -22.8300 (Kcal/mole), S0(298K) = 64.5700 (cal/mole-K) CH2CL2 112989C 1H 2CL 2 G 300.000 5000.000 1000.00 1 5.91732700e+00 6.76239500e-03-2.67616300e-06 4.85668700e-10-3.31697400e-14 2 -1.38592600e+04-3.87773900e+00 1.42328400e+00 2.11665800e-02-2.17808800e-05 3 1.34587300e-08-3.81164900e-12-1.26866400e+04 1.89344500e+01 4 ! ! Species: CH2CLCCL2 CAS Number: 23273-88-3 ! Name: 1,1,2-Trichloroethyl Radical ! Source: SNLL fit to BAC-MP4 data, 5/30/90 ! H0(298K) = 6.02000 (Kcal/mole), S0(298K) = 82.7000 (cal/mole-K) CH2CLCCL2 53090C 2H 2CL 3 G 300.000 5000.000 1500.00 1 1.43815600e+01 2.37963500e-03-4.16742600e-07-2.44511600e-12 4.49957400e-15 2 -2.74672000e+03-4.35176200e+01 3.35119400e+00 3.29763300e-02-3.60413900e-05 3 1.97745300e-08-4.23382300e-12 8.62001100e+02 1.44476000e+01 4 ! ! Species: CH2CLCCLO CAS Number: 79-04-9 ! Name: Chloroacetyl Chloride ! Source: SNLL fit to BAC-MP4 data, 5/30/90 ! H0(298K) = -58.3300 (Kcal/mole), S0(298K) = 77.5100 (cal/mole-K) CH2CLCCLO 53090C 2H 2O 1CL 2G 300.000 5000.000 1500.00 1 1.39202700e+01 2.58960200e-03-4.14189200e-07-1.64316900e-11 6.23717400e-15 2 -3.51725700e+04-4.38950300e+01 2.70599500e+00 3.21012800e-02-3.35772700e-05 3 1.81431000e-08-3.89000900e-12-3.13090500e+04 1.56601300e+01 4 ! ! Species: CH2CLCH2 CAS Number: 16519-99-6 ! Name: 2-Chloroethyl Radical ! Source: SNLL fit to BAC-MP4 data, 5/30/90 ! H0(298K) = 23.0000 (Kcal/mole), S0(298K) = 68.3600 (cal/mole-K) CH2CLCH2 53090C 2H 4CL 1 G 300.000 5000.000 1500.00 1 1.16701100e+01 3.55472200e-03-4.12424100e-07-7.27611000e-11 1.31675600e-14 2 6.20162900e+03-3.60454900e+01 1.63586400e+00 2.68020100e-02-2.49142100e-05 3 1.34923500e-08-3.04657100e-12 1.01429400e+04 1.86424800e+01 4 ! ! Species: CH2CLCH2CL CAS Number: 107-06-2 ! Name: 1,2-Dichloroethane ! Source: SNLL fit to BAC-MP4 data, 5/30/90 ! H0(298K) = -32.3500 (Kcal/mole), S0(298K) = 72.2000 (cal/mole-K) CH2CLCH2CL 53090C 2H 4CL 2 G 300.000 5000.000 1500.00 1 1.44314300e+01 3.83677000e-03-5.29912200e-07-5.16541200e-11 1.17763600e-14 2 -2.29628500e+04-5.13012400e+01-2.43650000e-01 4.03257400e-02-3.95699300e-05 3 2.07424500e-08-4.41260400e-12-1.76783000e+04 2.74136600e+01 4 ! ! Species: CH2CLCHCL CAS Number: 23273-86-1 ! Name: 1,2-Dichloroethyl Radical ! Source: SNLL fit to BAC-MP4 data, 5/30/90 ! H0(298K) = 13.1000 (Kcal/mole), S0(298K) = 75.9200 (cal/mole-K) CH2CLCHCL 53090C 2H 3CL 2 G 300.000 5000.000 1500.00 1 1.29559300e+01 3.00168900e-03-4.16516200e-07-3.90905500e-11 9.04109000e-15 2 9.93207700e+02-3.92538700e+01 2.27618500e+00 3.01140100e-02-3.04766400e-05 3 1.65488000e-08-3.61319800e-12 4.83634000e+03 1.79216600e+01 4 ! ! Species: CH2CLCHCL2 CAS Number: 79-00-5 ! Name: 1,2,2-Trichloroethane ! Source: SNLL fit to BAC-MP4 data, 5/30/90 ! H0(298K) = -35.2300 (Kcal/mole), S0(298K) = 80.0500 (cal/mole-K) CH2CLCHCL2 53090C 2H 3CL 3 G 300.000 5000.000 1500.00 1 1.61873900e+01 3.04768100e-03-5.01149600e-07-1.59670100e-11 7.10754700e-15 2 -2.47441700e+04-5.69545400e+01 1.23901100e+00 4.14844400e-02-4.18865400e-05 3 2.16321400e-08-4.46736400e-12-1.96071700e+04 2.25785600e+01 4 ! ! Species: CH2CLCHO CAS Number: 107-20-0 ! Name: Chloroacetaldehyde ! Source: SNLL fit to BAC-MP4 data, 5/30/90 ! H0(298K) = -41.6700 (Kcal/mole), S0(298K) = 72.1100 (cal/mole-K) CH2CLCHO 53090C 2H 3O 1CL 1G 300.000 5000.000 1500.00 1 1.22795500e+01 3.32097900e-03-4.10671000e-07-6.19982600e-11 1.19059400e-14 2 -2.67841600e+04-3.76235600e+01 6.55300300e-01 2.95904600e-02-2.63505600e-05 3 1.32754500e-08-2.83828800e-12-2.22700500e+04 2.57679700e+01 4 ! ! Species: CH2CO CAS Number: 463-51-4 ! Name: Ketene ! Source: Burcat (C2H2O) (Technion Reports), 12/16/86 ! H0(298K) = -12.4000 (Kcal/mole), S0(298K) = 57.8000 (cal/mole-K) CH2CO 121686C 2H 2O 1 G 300.000 5000.000 1000.00 1 6.03881700e+00 5.80484000e-03-1.92095400e-06 2.79448500e-10-1.45886800e-14 2 -8.58340200e+03-7.65758100e+00 2.97497100e+00 1.21187100e-02-2.34504600e-06 3 -6.46668500e-09 3.90564900e-12-7.63263700e+03 8.67355300e+00 4 ! ! Species: CH2F2 CAS Number: 75-10-5 ! Name: Difluoromethane ! Source: SNLL fit to 1986 JANAF tables, 8/24/89 ! H0(298K) = -107.710 (Kcal/mole), S0(298K) = 58.9400 (cal/mole-K) CH2F2 82489C 1H 2F 2 G 300.000 5000.000 1000.00 1 4.73005200e+00 7.99730000e-03-3.18604500e-06 5.80116000e-10-3.96792500e-14 2 -5.63728800e+04-4.95484300e-01 3.66943400e-01 2.16891700e-02-2.44191300e-05 3 1.94231000e-08-6.97834300e-12-5.51010300e+04 2.20221500e+01 4 ! ! Species: CH2HCO CAS Number: 4400-01-5 ! Name: 2-Oxoethyl Radical ! Source: Burcat, C2H3OA (CH2CHO) (Technion Reports), 11/03/93 ! H0(298K) = 6.00000 (Kcal/mole), S0(298K) = 64.0000 (cal/mole-K) CH2HCO 110393O 1H 3C 2 G 300.000 5000.000 1000.00 1 5.97567000e+00 8.13059100e-03-2.74362400e-06 4.07030400e-10-2.17601700e-14 2 4.90321800e+02-5.04525100e+00 3.40906200e+00 1.07385700e-02 1.89149200e-06 3 -7.15858300e-09 2.86738500e-12 1.52147700e+03 9.55829000e+00 4 ! ! Species: CH2O CAS Number: 50-00-0 ! Name: Formaldehyde ! Source: SNLL fit to 1986 JANAF tables, 12/12/86 ! H0(298K) = -27.7000 (Kcal/mole), S0(298K) = 52.2600 (cal/mole-K) CH2O 121286C 1H 2O 1 G 300.000 5000.000 1000.00 1 2.99560600e+00 6.68132100e-03-2.62895500e-06 4.73715300e-10-3.21251700e-14 2 -1.53203700e+04 6.91257200e+00 1.65273100e+00 1.26314400e-02-1.88816800e-05 3 2.05003100e-08-8.41323700e-12-1.48654000e+04 1.37848200e+01 4 ! ! Species: (CH2O)3 CAS Number: 110-88-3 ! Name: Trioxane ! Source: SNL fit to BAC-MP4 data, 7/05/90 ! H0(298K) = -110.700 (Kcal/mole), S0(298K) = 69.4200 (cal/mole-K) (CH2O)3 70590C 3H 6O 3 G 300.000 4000.000 1500.00 1 1.91367800e+01 8.57804400e-03-8.88206000e-07-3.57481900e-10 6.60514300e-14 2 -6.56087600e+04-8.43250700e+01-4.66228600e+00 6.09154700e-02-4.71053600e-05 3 1.96884300e-08-3.56327100e-12-5.66540400e+04 4.52526500e+01 4 ! ! Species: CH2OH CAS Number: 2597-43-5 ! Name: Hydroxymethyl Radical ! Source: SNLL fit to BAC-MP4 data, 12/01/86 ! H0(298K) = -4.21000 (Kcal/mole), S0(298K) = 58.9300 (cal/mole-K) CH2OH 120186H 3C 1O 1 G 250.000 4000.000 1000.00 1 6.32752000e+00 3.60827100e-03-3.20154700e-07-1.93875000e-10 3.50970500e-14 2 -4.47450900e+03-8.32936600e+00 2.86262800e+00 1.00152700e-02-5.28543600e-07 3 -5.13854000e-09 2.24604100e-12-3.34967900e+03 1.03979400e+01 4 ! ! Species: CH2OHCCL2 CAS Number: 28213-60-7 ! Name: 1,1-Dichloro-2-Hydroxy-ethyl Radical ! Source: SNLL fit to BAC-MP4 data, 5/30/90 ! H0(298K) = -23.2600 (Kcal/mole), S0(298K) = 82.1800 (cal/mole-K) CH2OHCCL2 53090C 2H 3O 1CL 2G 300.000 5000.000 1500.00 1 1.60218100e+01 2.84635200e-03-4.97421800e-07-2.16745000e-12 5.24604600e-15 2 -1.82957900e+04-5.40213400e+01 1.92294000e+00 4.15820700e-02-4.42750500e-05 3 2.34301500e-08-4.85186800e-12-1.37551200e+04 2.00190200e+01 4 ! ! Species: CH2OHCHCL CAS Number: 16481-39-3 ! Name: 1-Chloro-2-Hydroxy-ethyl Radical ! Source: SNLL fit to BAC-MP4 data, 5/30/90 ! H0(298K) = -16.9000 (Kcal/mole), S0(298K) = 74.3500 (cal/mole-K) CH2OHCHCL 53090C 2H 4O 1CL 1G 300.000 5000.000 1500.00 1 1.44629800e+01 3.56951400e-03-5.41911800e-07-2.86217600e-11 8.92056000e-15 2 -1.47555900e+04-4.94281500e+01 3.50569600e-01 4.21274900e-02-4.49383900e-05 3 2.44818700e-08-5.23658900e-12-1.00731400e+04 2.49526100e+01 4 ! ! Species: CH2SICL CAS Number: 145454-38-2 ! Name: Chloromethylene-silyl Radical ! Source: SNL fit to BAC-MP4 data, 4/09/92 ! H0(298K) = 45.6800 (Kcal/mole), S0(298K) = 69.3900 (cal/mole-K) CH2SICL 40992H 2C 1SI 1CL 1G 300.000 4000.000 1500.00 1 9.91596600e+00 1.89631900e-03-3.30423800e-07-3.88235300e-11 1.08916900e-14 2 1.90658700e+04-2.38913700e+01 3.51407700e+00 1.95949500e-02-2.14727400e-05 3 1.21401700e-08-2.69132300e-12 2.12328000e+04 9.88283600e+00 4 ! ! Species: CH2SICL3 CAS Number: 19469-05-7 ! Name: Trichlorosilyl-methyl Radical ! Source: SNL fit to BAC-MP4 data, 4/09/92 ! H0(298K) = -87.7100 (Kcal/mole), S0(298K) = 90.1600 (cal/mole-K) CH2SICL3 40992H 2C 1SI 1CL 3G 300.000 4000.000 1500.00 1 1.47624000e+01 2.28949900e-03-4.14833700e-07-1.52618200e-11 7.72469800e-15 2 -4.94770300e+04-4.02047500e+01 6.71817000e+00 2.71266200e-02-3.16852900e-05 3 1.80964100e-08-3.93890600e-12-4.71018300e+04 1.16736000e+00 4 ! ! Species: CH2SIH2CL CAS Number: 145454-37-1 ! Name: Chlorosilyl-methyl Radical ! Source: SNL fit to BAC-MP4 data, 4/09/92 ! H0(298K) = -0.900000 (Kcal/mole), S0(298K) = 74.2300 (cal/mole-K) CH2SIH2CL 40992H 4C 1SI 1CL 1G 300.000 4000.000 1500.00 1 1.26056100e+01 3.46847600e-03-4.60643400e-07-9.74814700e-11 2.07768100e-14 2 -5.74853800e+03-3.74318300e+01 2.42622900e+00 3.02805600e-02-3.03920000e-05 3 1.61259900e-08-3.42562900e-12-2.26889100e+03 1.65773600e+01 4 ! ! Species: CH2SIHCL2 CAS Number: 145454-36-0 ! Name: Dichlorosilyl-methyl Radical ! Source: SNL fit to BAC-MP4 data, 4/09/92 ! H0(298K) = -44.6700 (Kcal/mole), S0(298K) = 83.3000 (cal/mole-K) CH2SIHCL2 40992H 3C 1SI 1CL 2G 300.000 4000.000 1500.00 1 1.36509200e+01 2.90902900e-03-4.52118000e-07-5.27478800e-11 1.38932000e-14 2 -2.78126200e+04-3.81035300e+01 4.18096700e+00 3.00576100e-02-3.28877200e-05 3 1.82202500e-08-3.92570000e-12-2.48033000e+04 1.13484500e+01 4 ! ! Species: CH3 CAS Number: 2229-07-4 ! Name: Methyl Radical ! Source: SNLL fit to 1986 JANAF tables, 12/12/86 ! H0(298K) = 34.8200 (Kcal/mole), S0(298K) = 46.3800 (cal/mole-K) CH3 121286C 1H 3 G 300.000 5000.000 1000.00 1 2.84405200e+00 6.13797400e-03-2.23034500e-06 3.78516100e-10-2.45215900e-14 2 1.64378100e+04 5.45269700e+00 2.43044300e+00 1.11241000e-02-1.68022000e-05 3 1.62182900e-08-5.86495300e-12 1.64237800e+04 6.78979400e+00 4 ! ! Species: CH3C(O)CL CAS Number: 75-36-5 ! Name: Acetyl Chloride ! Source: SNLL fit to BAC-MP4 data, 5/30/90 ! H0(298K) = -56.9300 (Kcal/mole), S0(298K) = 70.6000 (cal/mole-K) CH3C(O)CL 53090C 2H 3O 1CL 1G 300.000 5000.000 1500.00 1 1.24056800e+01 3.21049600e-03-3.73715700e-07-6.73959200e-11 1.21912200e-14 2 -3.43242000e+04-3.90919500e+01 2.27511700e+00 2.51853300e-02-2.15242000e-05 3 1.08400500e-08-2.36919100e-12-3.02437600e+04 1.65701600e+01 4 ! ! Species: CH3CC CAS Number: 89342-91-6 ! Name: 1-Propynyl (C3v 2A1) ! Source: SNLL fit to BAC-MP4 data, 8/24/89 ! H0(298K) = 123.810 (Kcal/mole), S0(298K) = 60.2800 (cal/mole-K) CH3CC 82489C 3H 3 G 300.000 4000.000 1000.00 1 7.64022100e+00 5.23355600e-03-5.05363500e-07-2.91977200e-10 5.44570000e-14 2 5.90976300e+04-1.62957300e+01 3.79875100e+00 8.74906200e-03 2.52301400e-06 3 -1.52937300e-09-1.41056200e-12 6.07742500e+04 5.98922300e+00 4 ! ! Species: CH3CCCH2 CAS Number: 82252-88-8 ! Name: 2-Butynyl Radical ! Source: SNLL fit to BAC-MP4 data, 8/24/89 ! H0(298K) = 74.3300 (Kcal/mole), S0(298K) = 78.5700 (cal/mole-K) CH3CCCH2 82489C 4H 5 G 300.000 4000.000 1000.00 1 1.15650600e+01 8.03029700e-03-7.64945000e-07-4.47653400e-10 8.31326000e-14 2 3.25681300e+04-3.01406600e+01 5.06845000e+00 1.57174700e-02 2.96897500e-06 3 -4.99058700e-09-2.98422400e-13 3.51885500e+04 6.79189300e+00 4 ! ! Species: CH3CCCH3 CAS Number: 503-17-3 ! Name: 2-Butyne ! Source: SNLL fit to BAC-MP4 data, 12/01/89 ! H0(298K) = 40.9200 (Kcal/mole), S0(298K) = 71.5800 (cal/mole-K) CH3CCCH3 120189C 4H 6 G 300.000 4000.000 1000.00 1 1.13365800e+01 1.00576400e-02-9.51132300e-07-5.66049700e-10 1.04945100e-13 2 1.54765900e+04-3.35086700e+01 4.07710500e+00 1.70315900e-02 4.70749000e-06 3 -3.76724000e-09-2.06696300e-12 1.85975700e+04 8.44480100e+00 4 ! ! Species: CH3CCH2 CAS Number: 15552-77-9 ! Name: 1-Methyl-ethenyl ! Source: SNLL fit to BAC-MP4 data, 8/24/89 ! H0(298K) = 61.0400 (Kcal/mole), S0(298K) = 69.1200 (cal/mole-K) CH3CCH2 82489C 3H 5 G 300.000 4000.000 1000.00 1 9.10101800e+00 7.96416800e-03-7.88494500e-07-4.56203600e-10 8.52921200e-14 2 2.67068000e+04-2.15055900e+01 3.38581100e+00 1.40453400e-02 3.20412700e-06 3 -3.82412000e-09-9.05374200e-13 2.90906600e+04 1.12664900e+01 4 ! ! Species: CH3CCL CAS Number: 31304-51-5 ! Name: Methylchlorocarbene ! Source: SNLL fit to BAC-MP4 data, 5/30/90 ! H0(298K) = 61.6800 (Kcal/mole), S0(298K) = 66.1800 (cal/mole-K) CH3CCL 53090C 2H 3CL 1 G 300.000 5000.000 1500.00 1 1.02396200e+01 2.76711600e-03-3.22885300e-07-5.75254800e-11 1.04343000e-14 2 2.63360700e+04-2.80618400e+01 1.68739700e+00 2.16434700e-02-1.89146600e-05 3 9.69901500e-09-2.13458000e-12 2.97538700e+04 1.88223600e+01 4 ! ! Species: CH3CCL2 CAS Number: 19468-97-4 ! Name: 1,1-Dichloroethyl Radical ! Source: SNLL fit to BAC-MP4 data, 5/30/90 ! H0(298K) = 10.3300 (Kcal/mole), S0(298K) = 75.4200 (cal/mole-K) CH3CCL2 53090C 2H 3CL 2 G 300.000 5000.000 1500.00 1 1.30003500e+01 2.94048500e-03-3.74645600e-07-5.04064400e-11 1.00633200e-14 2 -4.22881600e+02-3.97986300e+01 3.21347300e+00 2.58737800e-02-2.41999300e-05 3 1.27381700e-08-2.78848100e-12 3.32566300e+03 1.33332000e+01 4 ! ! Species: CH3CCL3 CAS Number: 71-55-6 ! Name: 1,1,1-Trichloroethane ! Source: SNLL fit to BAC-MP4 data, 5/30/90 ! H0(298K) = -33.5500 (Kcal/mole), S0(298K) = 76.4800 (cal/mole-K) CH3CCL3 53090C 2H 3CL 3 G 300.000 5000.000 1500.00 1 1.63716000e+01 2.93502100e-03-4.83610800e-07-1.45472300e-11 6.73169100e-15 2 -2.37809500e+04-5.94186400e+01 2.48436300e+00 3.90947400e-02-4.01363700e-05 3 2.11017900e-08-4.41821300e-12-1.90254000e+04 1.43560300e+01 4 ! ! Species: CH3CCLO CAS Number: 75-36-5 ! Name: Acetyl Chloride ! Source: SNLL fit to BAC-MP4 data, 5/30/90 ! H0(298K) = -56.9300 (Kcal/mole), S0(298K) = 70.6000 (cal/mole-K) CH3CCLO 53090C 2H 3O 1CL 1G 300.000 5000.000 1500.00 1 1.24059500e+01 3.21026600e-03-3.73639700e-07-6.74023600e-11 1.21908100e-14 2 -3.43228300e+04-3.90960500e+01 2.27740200e+00 2.51791200e-02-2.15163200e-05 3 1.08352400e-08-2.36807900e-12-3.02430800e+04 1.65555600e+01 4 ! ! Species: CH3CH2CCH CAS Number: 107-00-6 ! Name: 1-Butyne ! Source: SNLL fit to BAC-MP4 data, 12/01/89 ! H0(298K) = 44.6600 (Kcal/mole), S0(298K) = 71.4600 (cal/mole-K) CH3CH2CCH 120189C 4H 6 G 300.000 4000.000 1000.00 1 1.20069500e+01 9.57606900e-03-8.99501800e-07-5.36980800e-10 9.93417400e-14 2 1.72942000e+04-3.80269200e+01 3.72604300e+00 2.05349300e-02 3.02143900e-06 3 -8.13181300e-09 1.09528000e-12 2.04882100e+04 8.53882600e+00 4 ! ! Species: CH3CH2CH2CH3 CAS Number: 106-97-8 ! Name: Trans-n-Butane ! Source: SNL,L fit to BAC-MP4 data, 12/02/93 ! H0(298K) = -30.6400 (Kcal/mole), S0(298K) = 72.6800 (cal/mole-K) CH3CH2CH2CH3 120293H 10C 4 G 300.000 4000.000 1500.00 1 1.94533500e+01 1.07256600e-02-7.26151800e-07-6.28273400e-10 1.05838600e-13 2 -2.51940800e+04-8.43921400e+01 1.38445100e+00 3.68287500e-02-4.26404400e-06 3 -9.30021700e-09 3.29444700e-12-1.73438500e+04 1.82955600e+01 4 ! ! Species: CH3CH2CL CAS Number: 75-00-3 ! Name: Chloroethane ! Source: SNLL fit to BAC-MP4 data, 5/30/90 ! H0(298K) = -27.1700 (Kcal/mole), S0(298K) = 66.0000 (cal/mole-K) CH3CH2CL 53090C 2H 5CL 1 G 300.000 5000.000 1500.00 1 1.30111800e+01 4.44894100e-03-5.20047300e-07-9.11971000e-11 1.65884200e-14 2 -2.01350300e+04-4.67784700e+01-6.98189900e-01 3.56770500e-02-3.23026000e-05 3 1.68962200e-08-3.72752300e-12-1.47605400e+04 2.80221900e+01 4 ! ! Species: CH3CH2O CAS Number: 2154-50-9 ! Name: Ethoxy Radical ! Source: SNLL fit to BAC-MP4 data, 10/31/90 ! H0(298K) = -0.510000 (Kcal/mole), S0(298K) = 65.4800 (cal/mole-K) CH3CH2O 103190C 2H 5O 1 G 300.000 4000.000 1500.00 1 1.18711500e+01 5.39041500e-03-4.99015900e-07-2.39958500e-10 4.25545600e-14 2 -5.95045700e+03-3.99658500e+01 6.90457000e-01 2.95139800e-02-2.24511600e-05 3 1.01160000e-08-2.04410100e-12-1.55991800e+03 2.13023000e+01 4 ! ! Species: CH3CHCH CAS Number: 6067-68-1 ! Name: Prop-1-enyl (HC=CH cis 2A') ! Source: SNLL fit to BAC-MP4 data, 8/24/89 ! H0(298K) = 64.7000 (Kcal/mole), S0(298K) = 68.4900 (cal/mole-K) CH3CHCH 82489C 3H 5 G 300.000 4000.000 1000.00 1 9.20976400e+00 7.87141300e-03-7.72452300e-07-4.49735700e-10 8.37727200e-14 2 2.85396700e+04-2.23237000e+01 3.16186300e+00 1.51810000e-02 2.72265900e-06 3 -5.17711200e-09 5.43528600e-14 3.09554800e+04 1.19797300e+01 4 ! ! Species: CH3CHCL CAS Number: 16520-13-1 ! Name: 1-Chloroethyl Radical ! Source: SNLL fit to BAC-MP4 data, 5/30/90 ! H0(298K) = 18.2200 (Kcal/mole), S0(298K) = 68.4600 (cal/mole-K) CH3CHCL 53090C 2H 4CL 1 G 300.000 5000.000 1500.00 1 1.16629100e+01 3.53928400e-03-3.85842300e-07-8.18687100e-11 1.40754900e-14 2 3.69664200e+03-3.61610800e+01 1.90357400e+00 2.43819300e-02-2.06277900e-05 3 1.06838200e-08-2.41446100e-12 7.72287000e+03 1.76815200e+01 4 ! ! Species: CH3CHCL2 CAS Number: 75-34-3 ! Name: 1,1-Dichloroethane ! Source: SNLL fit to BAC-MP4 data, 5/30/90 ! H0(298K) = -32.0800 (Kcal/mole), S0(298K) = 72.7900 (cal/mole-K) CH3CHCL2 53090C 2H 4CL 2 G 300.000 5000.000 1500.00 1 1.45431100e+01 3.77237800e-03-5.18930100e-07-5.14106300e-11 1.16307600e-14 2 -2.27704500e+04-5.14742600e+01 4.51076400e-01 3.88490100e-02-3.83291200e-05 3 2.02950200e-08-4.35759100e-12-1.76723400e+04 2.41454600e+01 4 ! ! Species: CH3CHOH CAS Number: 2348-46-1 ! Name: 1-Hydroxyethyl Radical ! Source: SNLL fit to BAC-MP4 data, 10/31/90 ! H0(298K) = -14.3400 (Kcal/mole), S0(298K) = 66.7300 (cal/mole-K) CH3CHOH 103190C 2H 5O 1 G 300.000 4000.000 1500.00 1 1.16114800e+01 5.17311700e-03-4.85668500e-07-2.20289500e-10 3.91372100e-14 2 -1.24881100e+04-3.68821300e+01 1.41594000e+00 2.87064800e-02-2.37382000e-05 3 1.14888600e-08-2.39142000e-12-8.63871800e+03 1.84425600e+01 4 ! ! Species: CH3CL CAS Number: 74-87-3 ! Name: Methyl Chloride ! Source: SNLL fit to 1986 JANAF data, 11/29/89 ! Comment: also called chloromethane ! H0(298K) = -20.0000 (Kcal/mole), S0(298K) = 55.9900 (cal/mole-K) CH3CL 112989C 1H 3CL 1 G 300.000 5000.000 1000.00 1 3.63387600e+00 8.66462500e-03-3.34387100e-06 5.95013000e-10-4.00140100e-14 2 -1.17765900e+04 4.43065100e+00 4.62190100e-01 2.06824700e-02-2.55313300e-05 3 2.16031100e-08-7.70681600e-12-1.09366700e+04 2.03297700e+01 4 ! ! Species: CH3CO CAS Number: 3170-69-2 ! Name: Acetyl Radical ! Source: Burcat C2H3OB (CH3CO) (Technion Reports), 12/01/86 ! H0(298K) = -5.40000 (Kcal/mole), S0(298K) = 63.7000 (cal/mole-K) CH3CO 120186C 2H 3O 1 G 300.000 5000.000 1000.00 1 5.61227900e+00 8.44988600e-03-2.85414700e-06 4.23837600e-10-2.26840400e-14 2 -5.18786300e+03-3.27494900e+00 3.12527800e+00 9.77822000e-03 4.52144800e-06 3 -9.00946200e-09 3.19371800e-12-4.10850800e+03 1.12288500e+01 4 ! ! Species: CH3F CAS Number: 593-53-3 ! Name: Fluoromethane ! Source: SNLL fit to 1986 JANAF tables, 8/24/89 ! H0(298K) = -56.0000 (Kcal/mole), S0(298K) = 53.2500 (cal/mole-K) CH3F 82489C 1H 3F 1 G 300.000 5000.000 1000.00 1 3.01497800e+00 9.31439700e-03-3.61169700e-06 6.44372800e-10-4.33959400e-14 2 -2.97783800e+04 6.32381500e+00 2.60091100e-01 2.00078800e-02-2.66258500e-05 3 2.56117700e-08-9.93523700e-12-2.89623300e+04 2.03179900e+01 4 ! ! Species: CH3HCO CAS Number: 75-07-0 ! Name: Acetaldehyde ! Source: Burcat (C2H4OA) (Technion Reports), 12/01/86 ! H0(298K) = -39.5000 (Kcal/mole), S0(298K) = 63.0000 (cal/mole-K) CH3HCO 120186C 2O 1H 4 G 300.000 5000.000 1000.00 1 5.86865000e+00 1.07942400e-02-3.64553000e-06 5.41291200e-10-2.89684400e-14 2 -2.26456900e+04-6.01294600e+00 2.50569500e+00 1.33699100e-02 4.67195300e-06 3 -1.12814000e-08 4.26356600e-12-2.12458900e+04 1.33508900e+01 4 ! ! Species: CH3NO CAS Number: 865-40-7 ! Name: ! Source: SNLL fit to BAC-MP4 data, 10/31/90 ! H0(298K) = 18.8800 (Kcal/mole), S0(298K) = 62.3300 (cal/mole-K) CH3NO 103190C 1H 3N 1O 1G 300.000 4000.000 1500.00 1 8.82054700e+00 3.70623300e-03-2.89474100e-07-1.89791000e-10 3.23754400e-14 2 5.36286200e+03-2.21322000e+01 2.10995500e+00 1.51782200e-02-7.07178900e-06 3 1.51061100e-09-1.60420400e-13 8.29361200e+03 1.56970200e+01 4 ! ! Species: CH3NO2 CAS Number: 75-52-5 ! Name: Methyl Nitrite ! Source: SNLL fit to BAC-MP4 data, 10/31/90 ! H0(298K) = -16.8300 (Kcal/mole), S0(298K) = 70.2600 (cal/mole-K) CH3NO2 103190C 1H 3N 1O 2G 300.000 4000.000 1500.00 1 1.09015800e+01 4.32638100e-03-4.20354800e-07-1.89307100e-10 3.41744400e-14 2 -1.37086200e+04-3.07318300e+01 3.22471700e-01 2.66514700e-02-1.93057400e-05 3 7.76262000e-09-1.39874600e-12-9.59752700e+03 2.72615600e+01 4 ! ! Species: CH3O CAS Number: 2143-68-2 ! Name: Methyloxide (Methoxy Radical) ! Source: Burcat (LSU calculations), 12/16/86 ! H0(298K) = 3.90000 (Kcal/mole), S0(298K) = 54.6000 (cal/mole-K) CH3O 121686C 1H 3O 1 G 300.000 3000.000 1000.00 1 3.77080000e+00 7.87149700e-03-2.65638400e-06 3.94443100e-10-2.11261600e-14 2 1.27832500e+02 2.92957500e+00 2.10620400e+00 7.21659500e-03 5.33847200e-06 3 -7.37763600e-09 2.07561100e-12 9.78601100e+02 1.31521800e+01 4 ! ! Species: CH3OCH3 CAS Number: 115-10-6 ! Name: Dimethyl Ether ! Source: SNLL fit to BAC-MP4 data, 10/31/90 ! H0(298K) = -43.8000 (Kcal/mole), S0(298K) = 63.7400 (cal/mole-K) CH3OCH3 103190C 2H 6O 1 G 300.000 4000.000 1500.00 1 1.22810000e+01 6.71103100e-03-4.72687100e-07-3.63640900e-10 6.08454500e-14 2 -2.83974300e+04-4.43469200e+01 1.24524600e+00 2.38119800e-02-8.26694900e-06 3 3.06845200e-10 1.90924800e-13-2.33599600e+04 1.85581700e+01 4 ! ! Species: CH3OCL CAS Number: 593-78-2 ! Name: Methyl Hypochlorite ! Source: SNLL fit to BAC-MP4 data, 5/30/90 ! H0(298K) = -14.0600 (Kcal/mole), S0(298K) = 64.9700 (cal/mole-K) CH3OCL 53090C 1H 3O 1CL 1G 300.000 5000.000 1500.00 1 1.02251800e+01 2.78004700e-03-3.33158200e-07-5.43785800e-11 1.01279900e-14 2 -1.17288600e+04-2.91201400e+01 1.57539200e+00 2.25564200e-02-2.05264400e-05 3 1.07531200e-08-2.37114000e-12-8.34683400e+03 1.80459300e+01 4 ! ! Species: CH3OH CAS Number: 67-56-1 ! Name: Methanol ! Source: Burcat (CH4O) (Technion Reports), 12/16/86 ! H0(298K) = -48.0000 (Kcal/mole), S0(298K) = 57.3000 (cal/mole-K) CH3OH 121686C 1H 4O 1 G 300.000 5000.000 1000.00 1 4.02906100e+00 9.37659300e-03-3.05025400e-06 4.35879300e-10-2.22472300e-14 2 -2.61579100e+04 2.37819600e+00 2.66011500e+00 7.34150800e-03 7.17005100e-06 3 -8.79319400e-09 2.39057000e-12-2.53534800e+04 1.12326300e+01 4 ! ! Species: CH3ONO CAS Number: 624-91-9 ! Name: Methyl Nitrite ! Source: SNLL fit to BAC-MP4 data, 10/31/90 ! H0(298K) = -15.3000 (Kcal/mole), S0(298K) = 66.6300 (cal/mole-K) CH3ONO 103190C 1H 3N 1O 2G 300.000 4000.000 1500.00 1 1.13612900e+01 4.15934900e-03-4.14567000e-07-1.69514000e-10 3.02873200e-14 2 -1.28148200e+04-3.54543500e+01 1.49034500e+00 2.64543300e-02-2.11233200e-05 3 9.41439900e-09-1.81120500e-12-9.12578200e+03 1.81376600e+01 4 ! ! Species: CH3ONO2 CAS Number: 598-58-3 ! Name: Methyl Nitrate ! Source: SNLL fit to BAC-MP4 data, 10/31/90 ! H0(298K) = -26.1200 (Kcal/mole), S0(298K) = 71.3400 (cal/mole-K) CH3ONO2 103190C 1H 3N 1O 3G 300.000 4000.000 1500.00 1 1.43618900e+01 4.11224300e-03-5.11305200e-07-1.49643600e-10 3.01215600e-14 2 -1.97244000e+04-5.13184200e+01 7.80335400e-01 3.45420400e-02-2.82232800e-05 3 1.23232400e-08-2.30216400e-12-1.46534600e+04 2.24575200e+01 4 ! ! Species: CH3SICL CAS Number: 77971-32-5 ! Name: Methylchlorosilylene ! Source: SNL fit to BAC-MP4 data, 1/08/91 ! H0(298K) = -2.47000 (Kcal/mole), S0(298K) = 70.9900 (cal/mole-K) CH3SICL 10891C 1H 3CL 1SI 1G 300.000 4000.000 1500.00 1 1.00198100e+01 3.09822700e-03-3.22352400e-07-1.22265400e-10 2.25496000e-14 2 -5.42741600e+03-2.35721100e+01 3.48513900e+00 1.83318200e-02-1.57312800e-05 3 7.85631000e-09-1.67094600e-12-2.95404200e+03 1.18694800e+01 4 ! ! Species: CH3SIH2SIH CAS Number: 88867-25-8 ! Name: 2-Methylsilylsilylene ! Source: SNL fit to BAC-MP4 data, 1/08/91 ! H0(298K) = -10.1200 (Kcal/mole), S0(298K) = 88.0300 (cal/mole-K) CH3SIH2SIH 10891C 2H 10SI 2 G 300.000 4000.000 1500.00 1 2.30224100e+01 8.81904700e-03-8.85975500e-07-3.70088900e-10 6.74625600e-14 2 -1.57705800e+04-9.45810400e+01 2.49291500e+00 5.39636700e-02-4.28166300e-05 3 1.96758500e-08-3.98163000e-12-7.81314100e+03 1.75836400e+01 4 ! ! Species: CH3SIH2SIH2CH3 CAS Number: 870-26-8 ! Name: 1,2-Dimethyldisilane ! Source: SNL fit to BAC-MP4 data, 6/19/91 ! H0(298K) = -10.9200 (Kcal/mole), S0(298K) = 88.0300 (cal/mole-K) CH3SIH2SIH2CH3 61991H 10C 2SI 2 G 300.000 2500.000 1500.00 1 1.94833200e+01 1.19516300e-02-2.65315500e-07-1.48952200e-09 3.04990100e-13 2 -1.40563900e+04-7.36820900e+01 3.12949300e+00 5.01693000e-02-3.52206100e-05 3 1.35429500e-08-2.27433900e-12-8.30393200e+03 1.42681900e+01 4 ! ! Species: (CH3)2SICH2 CAS Number: 4112-23-6 ! Name: 1,1-Dimethylsilaethylene ! Source: SNL fit to BAC-MP4 data, 6/19/91 ! H0(298K) = 12.3000 (Kcal/mole), S0(298K) = 80.3700 (cal/mole-K) (CH3)2SICH2 61991H 8C 3SI 1 G 300.000 2500.000 1500.00 1 1.54785200e+01 1.06570000e-02-1.23434500e-07-1.29335200e-09 2.52871500e-13 2 -6.69307600e+02-5.35888400e+01 2.02752200e+00 4.40867300e-02-3.37002400e-05 3 1.48446600e-08-2.83089800e-12 3.93145400e+03 1.81582100e+01 4 ! ! Species: CH3SIHCL2 CAS Number: 75-54-7 ! Name: Methyldichlorosilane ! Source: SNL fit to BAC-MP4 data,