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ethyl pentanoate   1146 Ethyl pentanoate

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    #  Species Formula
  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
  1146 Ethyl pentanoate C7H14O2
  1147 Methyl 3,3-dimethylbutanoateC7H14O2
  1148 Methyl hexanoateC7H14O2
  1149 1,3-DiethoxypropaneC7H16O2
  1150 1,7-HeptanediolC7H16O2
  1151 m-Methylbenzoic acidC8H8O2
  1152 Methyl benzoateC8H8O2
  1153 o-Methylbenzoic acidC8H8O2
  1154 p-Methylbenzoic acidC8H8O2
  1155 1,3-Dioxolane-2-phenylC9H10O2
  1156 2,3-Dimethylbenzoic acidC9H10O2


ΔHf: -121.2 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 pentanoate
 H=-121.2 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.52017702 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     1.43631377 +1  104.0579216 +1    0.0000000 +0     2     1     0
  C     1.35629380 +1  116.2830820 +1  179.9921935 +1     3     2     1
  C     1.49861483 +1  109.4253641 +1  179.9464743 +1     4     3     2
  C     1.53056257 +1  110.1045148 +1  179.8352054 +1     5     4     3
  C     1.53308677 +1  110.7630039 +1 -179.9445793 +1     6     5     4
  C     1.52850511 +1  110.5699135 +1 -179.9989506 +1     7     6     5
  O     1.20375815 +1  122.2263287 +1 -179.9937050 +1     4     3     5
  H     1.09787735 +1  111.2835668 +1   59.9036633 +1     1     2     3
  H     1.09794422 +1  111.2727825 +1 -119.0957946 +1     1     2    10
  H     1.09560592 +1  111.1478879 +1 -120.4410493 +1     1     2    11
  H     1.10433332 +1  113.0024873 +1 -117.4408747 +1     2     1     3
  H     1.10403927 +1  113.0836657 +1 -125.0830236 +1     2     1    13
  H     1.11095193 +1  109.8009025 +1  122.4943178 +1     5     4     6
  H     1.11114646 +1  109.7789507 +1  115.0836374 +1     5     4    15
  H     1.10848838 +1  110.1096191 +1 -122.3986596 +1     6     5     7
  H     1.10851645 +1  110.1134734 +1 -115.2295548 +1     6     5    17
  H     1.10646359 +1  110.1744356 +1  121.7558829 +1     7     6     8
  H     1.10655777 +1  110.1723564 +1  116.5215430 +1     7     6    19
  H     1.09607492 +1  111.5060603 +1  -59.9836177 +1     8     7     6
  H     1.09608022 +1  111.4964536 +1  120.1017080 +1     8     7    21
  H     1.09541078 +1  111.2971207 +1  119.9390920 +1     8     7    22