Accuracy

2-propenoic acid   1064 2-Propenoic acid

(Previous)     (Back)     (Next)         Geometry predicted using PM7

    

    #  Species Formula
  1054 Acetic acidC2H4O2
  1055 Methyl formate (Geo)C2H4O2
  1056 Methyl formateC2H4O2
  1057 Dimethyl peroxideC2H6O2
  1058 Ethylene glycolC2H6O2
  1059 H2O - CH3OCH3 (Geo)C2H8O2
  1060 DimethoxyboraneH7BC2O2
  1061 Carbon suboxide (Geo)C3O2
  1062 Carbon suboxideC3O2
  1063 2-Oxo-propanalC3H4O2
  1064 2-Propenoic acid C3H4O2
  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


ΔHf: -79.0 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-Propenoic acid
 H=-79.0 HR=NIST
  O     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.20506114 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.46905059 +1  128.9487811 +1    0.0000000 +0     2     1     0
  C     1.33338474 +1  120.3305123 +1   -0.0129638 +1     3     2     1
  O     1.36090922 +1  120.3342983 +1  179.9987671 +1     2     1     3
  H     1.09148719 +1  115.8035325 +1 -179.9987453 +1     3     2     4
  H     1.08628349 +1  123.3130622 +1    0.0012617 +1     4     3     2
  H     1.08236327 +1  123.4211383 +1  179.9999845 +1     4     3     7
  H     0.98897348 +1  113.3601248 +1    0.0005778 +1     5     2     1