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

2,4-dimethyl pentane    222 2,4-Dimethyl pentane

(Previous)     (Back)     (Next)        

   

    #  Species Formula
   212 1,1-Dimethyl cyclopentaneC7H14
   213 1,2-cis-Dimethyl cyclopentaneC7H14
   214 1,2-trans-Dimethyl cyclopentaneC7H14
   215 1,3-cis-Dimethyl cyclopentaneC7H14
   216 1-HepteneC7H14
   217 Ethyl cyclopentaneC7H14
   218 Methyl-cyclohexaneC7H14
   219 2,2,3-Trimethyl butaneC7H16
   220 2,2-Dimethyl pentaneC7H16
   221 2,3-Dimethyl pentaneC7H16
   222 2,4-Dimethyl pentane C7H16
   223 2-Methyl hexaneC7H16
   224 3,3-Dimethyl pentaneC7H16
   225 3-Ethyl pentaneC7H16
   226 3-Methyl hexaneC7H16
   227 n-HeptaneC7H16
   228 CubaneC8H8
   229 CyclooctatetraeneC8H8
   230 StyreneC8H8
   231 EthylbenzeneC8H10
   232 m-XyleneC8H10


ΔHf: -48.3 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.
  
 PM7
2,4-Dimethyl pentane
 HR=NIST H=-48.30
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.53311532 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.54239205 +1  111.5816267 +1    0.0000000 +0     2     1     0
  C     1.54214300 +1  113.1094817 +1  -87.4823748 +1     3     2     1
  C     1.53334420 +1  111.5623823 +1   88.0720329 +1     4     3     2
  C     1.53669495 +1  109.2683664 +1  121.5454943 +1     2     1     3
  C     1.53657917 +1  109.7761564 +1  121.3007539 +1     4     3     5
  H     1.09504831 +1  111.4461306 +1  -62.0043356 +1     1     2     3
  H     1.09479274 +1  111.5659163 +1  120.4312280 +1     1     2     8
  H     1.09556023 +1  111.0292229 +1  119.7625720 +1     1     2     9
  H     1.11656653 +1  108.7732387 +1  118.2167463 +1     2     1     6
  H     1.10393366 +1  110.1496679 +1  123.7969627 +1     3     2     4
  H     1.10759297 +1  108.9423953 +1  114.7953258 +1     3     2    12
  H     1.11665184 +1  109.0374284 +1  118.6310975 +1     4     3     7
  H     1.09486390 +1  111.5255987 +1  -57.3852310 +1     5     4     3
  H     1.09535395 +1  111.3638360 +1  120.0220953 +1     5     4    15
  H     1.09513939 +1  111.1855450 +1  119.9320978 +1     5     4    16
  H     1.09488154 +1  111.3762507 +1  175.1790419 +1     6     2     1
  H     1.09502393 +1  111.3317416 +1  120.3282676 +1     6     2    18
  H     1.09509398 +1  111.1886198 +1  119.8851831 +1     6     2    19
  H     1.09502182 +1  111.3248355 +1  -58.6204400 +1     7     4     3
  H     1.09478925 +1  111.3976781 +1  120.3255958 +1     7     4    21
  H     1.09515049 +1  111.1517772 +1  119.8179819 +1     7     4    22