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236 p-Xylene

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  #           Species Formula
  226 3,3-Dimethyl pentaneC7H16
  227 3-Ethyl pentaneC7H16
  228 3-Methyl hexaneC7H16
  229 n-HeptaneC7H16
  230 CubaneC8H8
  231 CyclooctatetraeneC8H8
  232 StyreneC8H8
  233 EthylbenzeneC8H10
  234 m-XyleneC8H10
  235 o-XyleneC8H10
  236 p-Xylene C8H10
  237 1,5-CyclooctadieneC8H12
  238 4-Vinyl cyclohexeneC8H12
  239 1-OctyneC8H14
  240 2,5-Dimethyl 2,4-hexadieneC8H14
  241 2-OctyneC8H14
  242 3,4-Dimethyl-(E,E)-2,4-hexadieneC8H14
  243 3,4-Dimethyl-(E,Z)-2,4-hexadieneC8H14
  244 3,4-Dimethyl-(Z,Z)-2,4-hexadieneC8H14
  245 3-OctyneC8H14
  246 4-OctyneC8H14



DHf: 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        -0.01233471 +1    0.0012750 +1   -0.0000309 +1                      0.0000
  C         2.80417459 +1    0.0061440 +1    0.0025962 +1                      0.0000
  C         0.69683913 +1    1.2145209 +1    0.0024702 +1                      0.0000
  C         0.69917486 +1   -1.2065864 +1   -0.0011252 +1                      0.0000
  C         2.09076142 +1    1.2168929 +1    0.0037244 +1                      0.0000
  C         2.09676612 +1   -1.2041650 +1    0.0001157 +1                      0.0000
  C        -1.50703411 +1    0.0130814 +1   -0.0013381 +1                      0.0000
  H         0.15486103 +1    2.1578989 +1    0.0033150 +1                      0.0000
  H         0.16472123 +1   -2.1540580 +1   -0.0030495 +1                      0.0000
  H         2.62944812 +1    2.1622137 +1    0.0057680 +1                      0.0000
  H         2.63432333 +1   -2.1499266 +1   -0.0006720 +1                      0.0000
  C         4.29881266 +1    0.0232372 +1    0.0048645 +1                      0.0000
  H         4.68850611 +1    0.5170764 +1    0.9069989 +1                      0.0000
  H         4.73533881 +1   -0.9833675 +1   -0.0241387 +1                      0.0000
  H         4.69282328 +1    0.5701203 +1   -0.8629404 +1                      0.0000
  H        -1.89985921 +1    0.5327134 +1   -0.8870249 +1                      0.0000
  H        -1.93987331 +1   -0.9954848 +1   -0.0023234 +1                      0.0000
  H        -1.90175674 +1    0.5320517 +1    0.8835207 +1                      0.0000