Accuracy

2-methyl-2-propenic acid   1075 2-Methyl-2-propenic acid

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    #  Species Formula
  1065 beta-PropiolactoneC3H4O2
  1066 1,3-DioxalaneC3H6O2
  1067 Ethyl formateC3H6O2
  1068 Methyl acetateC3H6O2
  1069 Propionic acidC3H6O2
  1070 1,3-PropanediolC3H8O2
  1071 2-MethoxyethanolC3H8O2
  1072 DimethoxymethaneC3H8O2
  1073 Propylene glycolC3H8O2
  1074 2-Butenoic acidC4H6O2
  1075 2-Methyl-2-propenic acid C4H6O2
  1076 DiacetylC4H6O2
  1077 gamma ButyrolactoneC4H6O2
  1078 Methyl 2-propenoateC4H6O2
  1079 1,1 Dimethoxy etheneC4H8O2
  1080 1,3 DioxanC4H8O2
  1081 1,4-DioxaneC4H8O2
  1082 Ethyl acetateC4H8O2
  1083 1,2-DimethoxyethaneC4H10O2
  1084 1,4 ButandiolC4H10O2
  1085 Diethyl peroxideC4H10O2


ΔHf: -87.8 kcal/mol,     REF: NIST Chemistry WebBook, NIST Standard Reference Database, No. 69; W. G. Mallard, P. J. Linstrom, Eds., National Institute of Standards and Technology, Gaithersberg, http://webbook.nist.gov/chemistry.
  
 PM7
2-Methyl-2-propenic acid
 H=-87.79 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.48742072 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.33437351 +1  124.4019637 +1    0.0000000 +0     1     2     0
  C     1.47803049 +1  113.4898159 +1 -179.9638709 +1     1     2     3
  O     1.20430948 +1  128.2916911 +1    0.3854641 +1     4     1     2
  O     1.36181815 +1  111.8520709 +1 -179.9939025 +1     4     1     5
  H     1.10295884 +1  111.3780957 +1  120.6939177 +1     2     1     3
  H     1.10293439 +1  111.3861945 +1  118.2302185 +1     2     1     7
  H     1.09760673 +1  112.8408981 +1  120.8705972 +1     2     1     8
  H     1.08405733 +1  123.5731687 +1 -179.9896720 +1     3     1     2
  H     1.08094650 +1  123.4404967 +1 -179.9936721 +1     3     1    10
  H     0.98904300 +1  113.1525348 +1 -179.9999109 +1     6     4     1