PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

2,2,3,3-tetramethylbutane    250 2,2,3,3-Tetramethylbutane

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    #  Species Formula
   240 3,4-Dimethyl-(E,E)-2,4-hexadieneC8H14
   241 3,4-Dimethyl-(E,Z)-2,4-hexadieneC8H14
   242 3,4-Dimethyl-(Z,Z)-2,4-hexadieneC8H14
   243 3-OctyneC8H14
   244 4-OctyneC8H14
   245 Bicyclo(2.2.2)-octaneC8H14
   246 Bicyclo-2,2,2-octaneC8H14
   247 1-OcteneC8H16
   248 EthylcyclohexaneC8H16
   249 2,2,3,3-Tetramethyl butaneC8H18
   250 2,2,3,3-Tetramethylbutane C8H18
   251 2,2,3-Trimethyl pentaneC8H18
   252 2,2,4-Trimethyl pentaneC8H18
   253 2,2-Dimethyl hexaneC8H18
   254 2,3,3-Trimethyl pentaneC8H18
   255 2,3,4-Trimethyl pentaneC8H18
   256 2,3-Dimethyl hexaneC8H18
   257 2,4-Dimethyl hexaneC8H18
   258 2,5-Dimethyl hexaneC8H18
   259 2-Methyl heptaneC8H18
   260 3,3-Dimethyl hexaneC8H18


ΔHf: -53.8 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
  
 SHIFT=30 PM7
2,2,3,3-Tetramethylbutane
 H=-53.83 HR=C&P1970
  C    -0.00650546 +1   0.06011547 +1   0.03588184 +1
  C     1.53059678 +1  -0.01335787 +1  -0.04415992 +1
  C     2.07258277 +1   1.42906661 +1  -0.07619502 +1
  H     3.16091749 +1   1.44844283 +1  -0.18659278 +1
  C     1.90235169 +1  -0.68507410 +1  -1.38045053 +1
  C     2.11867786 +1  -0.80896393 +1   1.17027968 +1
  H     1.81772124 +1   1.97693518 +1   0.83558638 +1
  H     1.65053051 +1   1.98640798 +1  -0.91908391 +1
  H    -0.45892325 +1  -0.93590342 +1   0.02331411 +1
  H    -0.41690181 +1   0.61382265 +1  -0.81519791 +1
  H    -0.33924136 +1   0.56904294 +1   0.94535798 +1
  H     2.98628824 +1  -0.73072313 +1  -1.52169639 +1
  H     1.51243884 +1  -1.70527586 +1  -1.44218014 +1
  H     1.48817404 +1  -0.12702975 +1  -2.22686798 +1
  C     3.65571824 +1  -0.88299356 +1   1.09024391 +1
  C     1.74690479 +1  -0.13707567 +1   2.50653709 +1
  C     1.57662959 +1  -2.25134996 +1   1.20205805 +1
  H     4.06560699 +1  -1.43858166 +1   1.94030848 +1
  H     4.10884987 +1   0.11269226 +1   1.10423147 +1
  H     3.98804341 +1  -1.39072137 +1   0.17994463 +1
  H     2.15855500 +1  -0.69682677 +1   3.35320385 +1
  H     0.66290327 +1  -0.08867385 +1   2.64634513 +1
  H     2.13958343 +1   0.88202522 +1   2.56957075 +1
  H     1.98839603 +1  -2.80531114 +1   2.05219639 +1
  H     1.84277586 +1  -2.80272874 +1   0.29560628 +1
  H     0.48704840 +1  -2.27073722 +1   1.29956263 +1