/[CaltechMech]/thermo.dat
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revision 2.2 by gblanqu, Sun Jan 25 23:23:47 2015 UTC revision 2.3 by gblanqu, Wed Mar 25 00:36:21 2015 UTC
# Line 311  T-C3H5                  H  5 C  3 O  0 Line 311  T-C3H5                  H  5 C  3 O  0
311   2.88377470E+04 1.33587759E+01 2.47223165E+00 1.75096865E-02 1.54166152E-06    3   2.88377470E+04 1.33587759E+01 2.47223165E+00 1.75096865E-02 1.54166152E-06    3
312  -1.03357169E-08 4.31484742E-12 2.89681156E+04 1.36627279E+01                   4  -1.03357169E-08 4.31484742E-12 2.89681156E+04 1.36627279E+01                   4
313  ! CAS# : 6067-68-1  ! CAS# : 6067-68-1
314  ! DfH = 268.30 kJ/mol, Cp = 63.68 J/mol/K, S = 271.77 J/mol/K  ! DfH = 268.30 kJ/mol, Cp = 63.68 J/mol/K, S = 277.54 J/mol/K
315  ! Entropy changed for cis/trans isomer (deg=2)  ! Entropy changed for cis/trans isomer (deg=2)
316  S-C3H5                  H  5 C  3 O  0      G     298.0    3000.0    1000.0    1  S-C3H5                  H  5 C  3 O  0      G     298.0    3000.0    1000.0    1
317   2.88965689E+00 2.06484496E-02-1.02005529E-05 2.45220758E-09-2.32477736E-13    2   2.88965689E+00 2.06484496E-02-1.02005529E-05 2.45220758E-09-2.32477736E-13    2
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