Accuracy

ethyl (z)-2-pentenoate   1134 Ethyl (Z)-2-pentenoate

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    #  Species Formula
  1124 3-Methyl-1,2-benzenediolC7H8O2
  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-pentenoate C7H12O2
  1135 Ethyl (Z)-3-pentenoateC7H12O2
  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


ΔHf: -94.3 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)-2-pentenoate
 H=-94.3 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.52797879 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.49077777 +1  112.1022704 +1    0.0000000 +0     2     1     0
  C     1.33984276 +1  122.5596554 +1 -179.7665690 +1     3     2     1
  C     1.46529565 +1  119.9628292 +1 -179.9576679 +1     4     3     2
  O     1.20863837 +1  127.7562423 +1    0.1206528 +1     5     4     3
  O     1.35697305 +1  110.2902781 +1 -179.9976324 +1     5     4     6
  C     1.43612794 +1  116.0021880 +1 -179.9725860 +1     7     5     4
  C     1.51998943 +1  104.0500164 +1 -179.9362546 +1     8     7     5
  H     1.09670189 +1  111.6103471 +1   60.2852617 +1     1     2     3
  H     1.09672576 +1  111.6207270 +1 -120.3979469 +1     1     2    10
  H     1.09611837 +1  111.3030484 +1 -119.7984896 +1     1     2    11
  H     1.11257027 +1  109.8667496 +1  122.5599562 +1     2     1     3
  H     1.11259516 +1  109.8484346 +1  114.8634029 +1     2     1    13
  H     1.09661028 +1  116.3076151 +1 -179.9636430 +1     3     2     4
  H     1.08813508 +1  123.8286085 +1  179.9794501 +1     4     3     5
  H     1.10421073 +1  108.4989704 +1 -120.6766208 +1     8     7     9
  H     1.10423495 +1  108.4910592 +1 -118.6911146 +1     8     7    17
  H     1.09804331 +1  111.2688232 +1  -59.6620357 +1     9     8     7
  H     1.09807782 +1  111.2499844 +1  119.0270862 +1     9     8    19
  H     1.09559164 +1  111.1273966 +1  120.4723043 +1     9     8    20