Accuracy

ethyl (z)-3-pentenoate   1135 Ethyl (Z)-3-pentenoate

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    #  Species Formula
  1125 4-Methyl 1,2-BenzenediolC7H8O2
  1126 Ethyl 2-methylene-3-butenoateC7H10O2
  1127 Ethyl 2-pentynoateC7H10O2
  1128 Ethyl 3-pentynoateC7H10O2
  1129 Ethyl 4-pentynoateC7H10O2
  1130 3,5-HeptanedioneC7H12O2
  1131 3-Ethyl-2,4-pentanedioneC7H12O2
  1132 5-Methyl-2,4-hexanedioneC7H12O2
  1133 Butyl 2-propenoateC7H12O2
  1134 Ethyl (Z)-2-pentenoateC7H12O2
  1135 Ethyl (Z)-3-pentenoate C7H12O2
  1136 Ethyl 4-pentenoateC7H12O2
  1137 Ethyl trans-2-pentenoateC7H12O2
  1138 HeptanolactoneC7H12O2
  1139 Isopropyl 2-butenoateC7H12O2
  1140 Propyl (E)-2-butenoateC7H12O2
  1141 (2a,4a,6b)-2,4,6-Trimethyl-1,3-dioxaneC7H14O2
  1142 1,1-DimethoxycyclopentaneC7H14O2
  1143 1,1-Dimethylpropyl acetateC7H14O2
  1144 Ethyl 2-methylbutanoateC7H14O2
  1145 Ethyl 3-methylbutanoateC7H14O2


ΔHf: -92.6 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
Ethyl (Z)-3-pentenoate
 H=-92.6 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.48837567 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.33587417 +1  122.7763309 +1    0.0000000 +0     2     1     0
  C     1.49397085 +1  122.7305922 +1 -179.5907681 +1     3     2     1
  C     1.50239988 +1  109.0142697 +1 -129.6610609 +1     4     3     2
  O     1.20378661 +1  127.8770485 +1  -53.2851602 +1     5     4     3
  O     1.35420357 +1  109.5311616 +1 -179.4458638 +1     5     4     6
  C     1.43611287 +1  116.3477136 +1 -179.9280697 +1     7     5     4
  C     1.51960944 +1  104.1792407 +1  179.9451560 +1     8     7     5
  H     1.09992925 +1  111.1569386 +1  118.6656181 +1     1     2     3
  H     1.09871734 +1  113.0361359 +1 -120.4582077 +1     1     2    10
  H     1.10025602 +1  111.1232662 +1 -120.3214954 +1     1     2    11
  H     1.08932710 +1  114.9175812 +1 -179.9901067 +1     2     1     3
  H     1.09106158 +1  122.5564658 +1  179.9433100 +1     3     2     4
  H     1.11236847 +1  112.2705324 +1  123.4146577 +1     4     3     5
  H     1.11550254 +1  110.0711509 +1  117.1771102 +1     4     3    15
  H     1.10445640 +1  108.4231460 +1 -120.6260760 +1     8     7     9
  H     1.10422129 +1  108.4990795 +1 -118.6753118 +1     8     7    17
  H     1.09817821 +1  111.2613709 +1  -59.3101298 +1     9     8     7
  H     1.09789084 +1  111.3238479 +1  119.0892895 +1     9     8    19
  H     1.09577607 +1  111.1257344 +1  120.4779416 +1     9     8    20