Accuracy

n-heptane    226 n-Heptane

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    #  Species Formula
   216 Ethyl cyclopentaneC7H14
   217 Methyl-cyclohexaneC7H14
   218 2,2,3-Trimethyl butaneC7H16
   219 2,2-Dimethyl pentaneC7H16
   220 2,3-Dimethyl pentaneC7H16
   221 2,4-Dimethyl pentaneC7H16
   222 2-Methyl hexaneC7H16
   223 3,3-Dimethyl pentaneC7H16
   224 3-Ethyl pentaneC7H16
   225 3-Methyl hexaneC7H16
   226 n-Heptane C7H16
   227 CubaneC8H8
   228 CyclooctatetraeneC8H8
   229 StyreneC8H8
   230 EthylbenzeneC8H10
   231 m-XyleneC8H10
   232 o-XyleneC8H10
   233 p-XyleneC8H10
   234 1,5-CyclooctadieneC8H12
   235 4-Vinyl cyclohexeneC8H12
   236 1-OctyneC8H14


ΔHf: -44.9 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
  
 PM7
n-Heptane
 H=-44.85,0.22 HR=C&P1970
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.52856150 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.53518629 +1  110.9013743 +1    0.0000000 +0     2     1     0
  C     1.53378109 +1  110.7274735 +1  179.8921395 +1     3     2     1
  C     1.53385503 +1  110.7042079 +1  179.9670569 +1     4     3     2
  C     1.53463195 +1  110.7300376 +1  179.9095874 +1     5     4     3
  C     1.52863408 +1  110.8768398 +1  179.9644726 +1     6     5     4
  H     1.09558615 +1  111.2232140 +1  179.9065250 +1     7     6     5
  H     1.09566309 +1  111.4423665 +1   59.9581949 +1     7     6     5
  H     1.09565139 +1  111.4332218 +1  -60.1549013 +1     7     6     5
  H     1.10634970 +1  109.9307284 +1   58.1028815 +1     6     5     4
  H     1.10635389 +1  109.9371763 +1  -58.1552311 +1     6     5     4
  H     1.10588384 +1  110.0427486 +1   58.0739184 +1     5     4     3
  H     1.10588115 +1  110.0333412 +1  -58.2489545 +1     5     4     3
  H     1.10598018 +1  109.9789218 +1   58.1405003 +1     4     3     2
  H     1.10599080 +1  109.9847350 +1  -58.1843702 +1     4     3     2
  H     1.10580772 +1  109.9395565 +1   58.0490122 +1     3     2     1
  H     1.10585605 +1  109.9259259 +1  -58.1520668 +1     3     2     1
  H     1.10630800 +1  109.9380448 +1   58.0740942 +1     2     3     4
  H     1.10634914 +1  109.9276329 +1  -58.1731194 +1     2     3     4
  H     1.09557481 +1  111.2208132 +1 -179.9192694 +1     1     2     3
  H     1.09565161 +1  111.4385921 +1   60.1435007 +1     1     2     3
  H     1.09566841 +1  111.4479390 +1  -59.9749638 +1     1     2     3