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heptanolactone   1138 Heptanolactone

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    #  Species Formula
  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-pentenoateC7H12O2
  1136 Ethyl 4-pentenoateC7H12O2
  1137 Ethyl trans-2-pentenoateC7H12O2
  1138 Heptanolactone C7H12O2
  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
  1146 Ethyl pentanoateC7H14O2
  1147 Methyl 3,3-dimethylbutanoateC7H14O2
  1148 Methyl hexanoateC7H14O2


ΔHf: -98.3 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
Heptanolactone
 H=-98.3 HR=NIST
  O     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.41293677 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.52858663 +1  117.3424227 +1    0.0000000 +0     2     1     0
  C     1.52992816 +1  114.4939668 +1  -37.6074616 +1     3     2     1
  C     1.53576685 +1  115.2546449 +1   65.6061977 +1     4     3     2
  C     1.53439532 +1  115.0583981 +1   38.2098098 +1     5     4     3
  C     1.53969521 +1  114.4698831 +1  -73.4938070 +1     6     5     4
  C     1.36270715 +1  123.6594068 +1  -60.1893464 +1     1     2     3
  O     1.20482754 +1  114.7795781 +1 -162.5302266 +1     8     1     2
  H     1.10569591 +1  107.8578230 +1  126.6208719 +1     2     1     3
  H     1.11266707 +1   99.3277366 +1  113.7888023 +1     2     1    10
  H     1.10641789 +1  111.0411029 +1  124.8684068 +1     3     2     4
  H     1.11168985 +1  107.8593938 +1  113.9489054 +1     3     2    12
  H     1.10903695 +1  108.4454381 +1  122.5005040 +1     4     3     5
  H     1.10930899 +1  109.3350185 +1  114.8185880 +1     4     3    14
  H     1.10998456 +1  108.4298280 +1  121.8535554 +1     5     4     6
  H     1.11007271 +1  109.5932121 +1  113.1636294 +1     5     4    16
  H     1.10651129 +1  109.7964276 +1  123.6680805 +1     6     5     7
  H     1.11061724 +1  108.3105863 +1  114.9279101 +1     6     5    18
  H     1.10512646 +1  111.5649038 +1   96.0516902 +1     7     6     5
  H     1.11282108 +1  109.5030967 +1  115.9292969 +1     7     6    20