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169 n-Pentane

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  #           Species Formula
  159 Methylene cyclobutaneC5H8
  160 Spiropentane (Geo)C5H8
  161 SpiropentaneC5H8
  162 Cyclopentyl, cationC5H9
  163 2-Methyl-2-buteneC5H10
  164 cis-2-PenteneC5H10
  165 cis-DimethylcyclopropaneC5H10
  166 CyclopentaneC5H10
  167 trans-2-PenteneC5H10
  168 Neopentyl, anionC5H11
  169 n-Pentane C5H12
  170 Neopentane (Geo)C5H12
  171 NeopentaneC5H12
  172 Cyclopentadienylberyllium hydrideC5H6Be
  173 C6H5 radicalC6H5
  174 BenzeneC6H6
  175 Benzene (Geo)C6H6
  176 FulveneC6H6
  177 Fulvene (Geo)C6H6
  178 (E)-1,3,5-HexatrieneC6H8
  179 (Z)-1,3,5-HexatrieneC6H8



DHf: -35.1 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
I.P.: 10.3 eV,     REF: R. D. Levin, S. G. Lias, "Ionization Potentials and Appearance Potential Measurements," 1971-1981, Natl. Stand. Ref. Data Ser., Natl. Bur. Stand. 71, (1982), Cat. No. C13.48:71.

  

n-Pentane
 H=-35.10,0.15 HR=C&P1970 I=10.3 IR=LLNBS82
  C         0.00000000 +0    0.0000000 +0    0.0000000 +0                      0.0000
  C         1.52778630 +1    0.0000000 +0    0.0000000 +0    1    0    0       0.0000
  C         1.53530154 +1  111.5841543 +1    0.0000000 +0    2    1    0       0.0000
  C         1.53545224 +1  111.4207071 +1  179.9360630 +1    3    2    1       0.0000
  C         1.52780762 +1  111.5845255 +1  179.9514916 +1    4    3    2       0.0000
  H         1.09540124 +1  111.1560012 +1  179.9015899 +1    5    4    3       0.0000
  H         1.09566210 +1  111.5635798 +1   59.9594263 +1    5    4    3       0.0000
  H         1.09564624 +1  111.5537965 +1  -60.1664198 +1    5    4    3       0.0000
  H         1.10704683 +1  109.9167664 +1   58.0486224 +1    4    3    2       0.0000
  H         1.10705093 +1  109.9230425 +1  -58.1260161 +1    4    3    2       0.0000
  H         1.10625655 +1  109.9202816 +1   57.8893338 +1    3    2    1       0.0000
  H         1.10623584 +1  109.9097138 +1  -58.0536142 +1    3    2    1       0.0000
  H         1.10706674 +1  109.9242389 +1   58.0092751 +1    2    3    4       0.0000
  H         1.10704015 +1  109.9174911 +1  -58.1709909 +1    2    3    4       0.0000
  H         1.09539858 +1  111.1489430 +1 -179.9246127 +1    1    2    3       0.0000
  H         1.09564191 +1  111.5609553 +1   60.1477300 +1    1    2    3       0.0000
  H         1.09565566 +1  111.5710705 +1  -59.9859454 +1    1    2    3       0.0000