Accuracy

methyl 2-propenoate   1078 Methyl 2-propenoate

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    #  Species Formula
  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 acidC4H6O2
  1076 DiacetylC4H6O2
  1077 gamma ButyrolactoneC4H6O2
  1078 Methyl 2-propenoate C4H6O2
  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
  1086 Dimethyl acetalC4H10O2
  1087 AcetylacetoneC5H8O2
  1088 Ethyl propionateC5H10O2


ΔHf: -79.6 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
Methyl 2-propenoate
 H=-79.59 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.33346250 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.47260908 +1  120.0990908 +1    0.0000000 +0     2     1     0
  O     1.36067131 +1  109.7093347 +1  179.8867532 +1     3     2     1
  C     1.42316984 +1  115.9627309 +1  179.9299639 +1     4     3     2
  O     1.20528594 +1  128.1133034 +1 -179.9819622 +1     3     2     4
  H     1.08630780 +1  123.2079514 +1   -0.0019477 +1     1     2     3
  H     1.08227821 +1  123.4085588 +1  179.9989947 +1     1     2     7
  H     1.09012662 +1  123.7046055 +1  179.9986907 +1     2     1     3
  H     1.09559083 +1  110.2112388 +1  -61.8554062 +1     5     4     3
  H     1.09562036 +1  110.3510933 +1  121.9938946 +1     5     4    10
  H     1.09629931 +1  103.0904581 +1  119.0325626 +1     5     4    11