Accuracy

2-methyl-2-butene     92 2-Methyl-2-butene

(Previous)     (Back)     (Next)         Geometry predicted using PM7

   

    #  Species Formula
    82 1,4-PentadieneC5H8
    83 Bicyclo(2.1.0)-pentaneC5H8
    84 1,cis-3-PentadieneC5H8
    85 CyclopenteneC5H8
    86 1,trans-3-PentadieneC5H8
    87 IsopreneC5H8
    88 Methylene cyclobutaneC5H8
    89 Spiropentane (Geo)C5H8
    90 SpiropentaneC5H8
    91 Cyclopentyl, cationC5H9
    92 2-Methyl-2-butene C5H10
    93 cis-2-PenteneC5H10
    94 cis-DimethylcyclopropaneC5H10
    95 CyclopentaneC5H10
    96 trans-2-PenteneC5H10
    97 IsopentaneC5H12
    98 n-PentaneC5H12
    99 Neopentane (Geo)C5H12
   100 NeopentaneC5H12
   101 BenzeneC6H6
   102 Benzene (Geo)C6H6


ΔHf: -9.9 kcal/mol,     REF: NIST Chemistry WebBook, NIST Standard Reference Database, No. 69; W. G. Mallard, P. J. Linstrom, Eds., National Institute of Standards and Technology, Gaithersberg, http://webbook.nist.gov/chemistry.
  

2-Methyl-2-butene
 H=-9.92 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.49281413 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.49624739 +1  114.3890147 +1    0.0000000 +0     2     1     0
  C     1.33966684 +1  124.3203467 +1 -179.9259834 +1     2     1     3
  C     1.48979842 +1  124.6576605 +1   -0.0111569 +1     4     2     1
  H     1.09920290 +1  111.0149872 +1   61.0147278 +1     1     2     3
  H     1.09904648 +1  111.1275445 +1 -119.3976677 +1     1     2     6
  H     1.09726139 +1  112.8750502 +1 -120.3422977 +1     1     2     7
  H     1.09889555 +1  111.0984563 +1   59.4693311 +1     3     2     1
  H     1.09889908 +1  111.0606124 +1 -119.4010769 +1     3     2     9
  H     1.09731546 +1  112.7807697 +1 -120.3034416 +1     3     2    10
  H     1.08856230 +1  120.7264112 +1  179.9783088 +1     4     2     5
  H     1.09932140 +1  111.5357610 +1  -59.9341696 +1     5     4     2
  H     1.09934554 +1  111.4996922 +1  120.1556946 +1     5     4    13
  H     1.09774625 +1  111.8779791 +1  119.8968165 +1     5     4    14