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1,3-diethoxypropane   1149 1,3-Diethoxypropane

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    #  Species Formula
  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
  1149 1,3-Diethoxypropane C7H16O2
  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
  1157 2,4-Dimethylbenzoic acidC9H10O2
  1158 2,5-Dimethylbenzoic acidC9H10O2
  1159 2,6-Dimethylbenzoic acidC9H10O2


ΔHf: -104.3 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
1,3-Diethoxypropane
 H=-104.3 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.52500259 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     1.42351199 +1  103.9602350 +1    0.0000000 +0     2     1     0
  C     1.42087849 +1  112.8813634 +1  179.7112047 +1     3     2     1
  C     1.52943949 +1  103.9347201 +1  177.8531199 +1     4     3     2
  C     1.52882262 +1  110.3912198 +1  177.6100037 +1     5     4     3
  O     1.42177033 +1  103.7327366 +1  177.6423505 +1     6     5     4
  C     1.42270214 +1  112.9115615 +1  177.8826563 +1     7     6     5
  C     1.52480192 +1  104.1486670 +1  179.2068601 +1     8     7     6
  H     1.09787977 +1  110.9051430 +1   60.3114015 +1     1     2     3
  H     1.10397154 +1  111.9871441 +1  118.1523379 +1     2     1     3
  H     1.10371412 +1  112.0538446 +1  123.6522620 +1     2     1    11
  H     1.10427007 +1  109.4451668 +1  119.8014699 +1     4     3     5
  H     1.10409874 +1  109.8258325 +1  120.3025362 +1     4     3    13
  H     1.10857115 +1  110.3438541 +1 -122.5122990 +1     5     4     6
  H     1.10875777 +1  110.3722511 +1 -115.1227968 +1     5     4    15
  H     1.10398361 +1  111.9966313 +1  118.2824715 +1     6     5     7
  H     1.10389669 +1  112.1167735 +1  123.7844720 +1     6     5    17
  H     1.10413871 +1  109.5209917 +1  119.9294748 +1     8     7     9
  H     1.10410698 +1  109.6088155 +1  120.1357188 +1     8     7    19
  H     1.09352354 +1  111.4954343 +1 -179.7395896 +1     9     8     7
  H     1.09801199 +1  110.8661772 +1 -118.4021485 +1     1     2    10
  H     1.09351779 +1  111.4992499 +1 -120.7917784 +1     1     2    22
  H     1.09794034 +1  110.8815389 +1  120.7986391 +1     9     8    21
  H     1.09797722 +1  110.8966341 +1  118.3685250 +1     9     8    24