Accuracy

p-xylene    161 p-Xylene

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    #  Species Formula
   151 3-Ethyl pentaneC7H16
   152 3-Methyl hexaneC7H16
   153 3,3-Dimethyl pentaneC7H16
   154 n-HeptaneC7H16
   155 CubaneC8H8
   156 CyclooctatetraeneC8H8
   157 StyreneC8H8
   158 EthylbenzeneC8H10
   159 m-XyleneC8H10
   160 o-XyleneC8H10
   161 p-Xylene C8H10
   162 4-Vinyl cyclohexeneC8H12
   163 1,5-CyclooctadieneC8H12
   164 1-OctyneC8H14
   165 2-OctyneC8H14
   166 2,5-Dimethyl 2,4-hexadieneC8H14
   167 3,4-Dimethyl-(E,E)-2,4-hexadieneC8H14
   168 3-OctyneC8H14
   169 3,4-Dimethyl-(E,Z)-2,4-hexadieneC8H14
   170 4-OctyneC8H14
   171 3,4-Dimethyl-(Z,Z)-2,4-hexadieneC8H14


ΔHf: 4.3 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
  

p-Xylene
 H=4.31,0.24 HR=C&P1970
  C    -0.00374677 +1   0.00169714 +1   0.00000844 +1
  C     2.79556825 +1   0.00651752 +1   0.00264822 +1
  C     0.69872811 +1   1.21087819 +1   0.00258297 +1
  C     0.70121531 +1  -1.20229224 +1  -0.00114772 +1
  C     2.08886513 +1   1.21328441 +1   0.00378818 +1
  C     2.09476247 +1  -1.19983704 +1   0.00010006 +1
  C    -1.49530123 +1   0.01255419 +1  -0.00143425 +1
  H     0.15478809 +1   2.15254436 +1   0.00349326 +1
  H     0.16508152 +1  -2.14848935 +1  -0.00311103 +1
  H     2.62950995 +1   2.15687440 +1   0.00584119 +1
  H     2.63413076 +1  -2.14423961 +1  -0.00073623 +1
  C     4.28705485 +1   0.02261325 +1   0.00496906 +1
  H     4.67792446 +1   0.51694848 +1   0.90685208 +1
  H     4.72248881 +1  -0.98463988 +1  -0.02396459 +1
  H     4.68203473 +1   0.56939011 +1  -0.86378906 +1
  H    -1.88909777 +1   0.53212531 +1  -0.88755648 +1
  H    -1.92721645 +1  -0.99659847 +1  -0.00217511 +1
  H    -1.89106367 +1   0.53181684 +1   0.88377751 +1