Accuracy

trans-2-butene    132 trans-2-Butene

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    #  Species Formula
   122 2-Butenyl, cationC4H7
   123 Cyclobutyl, cationC4H7
   124 1-ButeneC4H8
   125 1-Butene (Geo)C4H8
   126 cis-2-ButeneC4H8
   127 Cyclobutane (Geo)C4H8
   128 CyclobutaneC4H8
   129 Isobutene (Geo)C4H8
   130 IsobuteneC4H8
   131 trans-2-Butene (Geo)C4H8
   132 trans-2-Butene C4H8
   133 Isobutyl, cationC4H9
   134 IsobutylC4H9
   135 n-Butane (Geo)C4H10
   136 Isobutane (Geo)C4H10
   137 IsobutaneC4H10
   138 n-Butane, transC4H10
   139 t-butyl lithium (Geo)H9LiC4
   140 n-Butyl lithium (Geo)H9LiC4
   141 n-Butyl lithiumH9LiC4
   142 t-Butyl lithiumH9LiC4


ΔHf: -3.0 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
  
 SYMMETRY PM7
trans-2-Butene
 HR=C&P1970 H=-3.0
 
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.33638077 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.48929408 +1  123.1496892 +1    0.0000000 +0     2     1     0
  H     1.09762862 +1  112.9982542 +1    0.0000000 +0     3     2     1
 XX     1.00000000 +0  127.1465573 +1  180.0000000 +0     3     2     1
  H     1.10007009 +1   53.5768669 +1   90.0000000 +0     3     5     2
  H     1.10007009 +0   53.5768669 +0  -90.0000000 +0     3     5     2
  H     1.08884599 +1  121.9673722 +1  180.0000000 +0     2     1     3
  H     1.08883282 +1  121.9805596 +1    0.0000000 +0     1     2     3
  C     1.48929408 +0  123.1496892 +0  180.0000000 +0     1     2     3
  H     1.09762862 +0  112.9982542 +0    0.0000000 +0    10     1     2
 XX     1.00000000 +0  127.1465573 +0  180.0000000 +0    10     1     2
  H     1.10007009 +0   53.5768669 +0   90.0000000 +0    10    12     1
  H     1.10007009 +0   53.5768669 +0  -90.0000000 +0    10    12     1
 
   3  1   10
   3  2   10
   4  1   11
   4  2   11
   5  2   12
   6  1    7   13   14
   6  2    7   13   14