Accuracy

3,3,4,4-tetraethylhexane    352 3,3,4,4-Tetraethylhexane

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

    

    #  Species Formula
   342 BibenzylC14H14
   343 o,o'-Dimethyl biphenyl, for torsion (Torsion angle) (Geo)C14H14
   344 1,4,5,8-TetramethynaphthaleneC14H16
   345 1,2,3,4,5,6,7,8-Octahydro-anthraceneC14H18
   346 DiadamantaneC14H20
   347 1,3,5,7-TetramethyladamantaneC14H24
   348 (E)-3,4-Di-tert-butyl-3-hexeneC14H28
   349 CyclotetradecaneC14H28
   350 n-NonylcyclopentaneC14H28
   351 OctylcyclohexaneC14H28
   352 3,3,4,4-Tetraethylhexane C14H30
   353 OctamethylhexaneC14H30
   354 TetradecaneC14H30
   355 4-MethylphenanthreneC15H12
   356 1-MethyldiadamantaneC15H22
   357 3-MethyladamantaneC15H22
   358 4-MethyldiadamantaneC15H22
   359 6-(1,1-dimethylethyl)-2,3-dihydro-1,1-dimethyl-1H-IndeneC15H22
   360 n-NonylcyclohexaneC15H30
   361 PentadecaneC15H32
   362 FluorantheneC16H10


ΔHf: -63.5 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
3,3,4,4-Tetraethylhexane
 H=-63.46 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.53097270 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.54935838 +1  117.1036246 +1    0.0000000 +0     2     1     0
  C     1.59898913 +1  112.7614304 +1  -70.4316595 +1     3     2     1
  C     1.56636829 +1  112.2593030 +1 -163.8392220 +1     4     3     2
  C     1.52802274 +1  117.7795037 +1  -68.3589582 +1     5     4     3
  C     1.54330511 +1  111.6816135 +1   74.3682188 +1     4     3     2
  C     1.53330416 +1  114.6293117 +1  174.7905718 +1     7     4     3
  C     1.56724329 +1  109.8664638 +1  -48.9007375 +1     4     3     2
  C     1.52997663 +1  117.8040202 +1   91.1389867 +1     9     4     3
  C     1.56495703 +1  108.6848182 +1  171.0132918 +1     3     2     1
  C     1.53041386 +1  117.9345621 +1  -29.3302564 +1    11     3     2
  C     1.55041479 +1  108.7398631 +1   52.5927456 +1     3     2     1
  C     1.53072711 +1  115.5400401 +1   55.9080390 +1    13     3     2
  H     1.09518051 +1  111.9011970 +1  -46.7123329 +1     1     2     3
  H     1.09598391 +1  112.2129204 +1   74.3171812 +1     1     2     3
  H     1.09608314 +1  110.4704907 +1 -166.1510337 +1     1     2     3
  H     1.11067230 +1  106.6479621 +1  121.2834206 +1     2     1     3
  H     1.10540502 +1  109.7981054 +1 -125.5456181 +1     2     1     3
  H     1.11147782 +1  107.3927686 +1  170.2362890 +1     5     4     3
  H     1.10521467 +1  109.9070935 +1   57.0875514 +1     5     4     3
  H     1.09672640 +1  111.7948492 +1   79.3004592 +1     6     5     4
  H     1.09536230 +1  112.1052207 +1  -42.1009952 +1     6     5     4
  H     1.09657802 +1  110.5888320 +1 -161.6821380 +1     6     5     4
  H     1.10693251 +1  109.3343524 +1  -62.6411056 +1     7     4     3
  H     1.10705673 +1  110.0510808 +1   52.5968392 +1     7     4     3
  H     1.09497219 +1  111.9362621 +1   46.0825408 +1     8     7     4
  H     1.09552208 +1  111.5350652 +1  -74.2860758 +1     8     7     4
  H     1.09511656 +1  110.7114006 +1  166.1405077 +1     8     7     4
  H     1.10761775 +1  108.8626968 +1  -33.1033555 +1     9     4     3
  H     1.10966641 +1  108.8369017 +1 -146.9555910 +1     9     4     3
  H     1.09520851 +1  112.0850889 +1   58.5026133 +1    10     9     4
  H     1.09457464 +1  112.4328548 +1  -62.5746364 +1    10     9     4
  H     1.09642935 +1  110.3342648 +1  177.9374299 +1    10     9     4
  H     1.10921231 +1  109.2079731 +1   92.6883866 +1    11     3     2
  H     1.10787964 +1  107.8992516 +1 -152.8005609 +1    11     3     2
  H     1.09488733 +1  112.3666129 +1  -52.5528048 +1    12    11     3
  H     1.09551091 +1  111.7516844 +1   68.8040366 +1    12    11     3
  H     1.09667673 +1  110.3134584 +1 -172.1116941 +1    12    11     3
  H     1.10577878 +1  109.5081609 +1  177.9814774 +1    13     3     2
  H     1.10742667 +1  109.4896402 +1  -66.6296488 +1    13     3     2
  H     1.09500975 +1  111.8837727 +1  -58.4025787 +1    14    13     3
  H     1.09539297 +1  111.4710275 +1   62.6564836 +1    14    13     3
  H     1.09581370 +1  110.5870044 +1 -178.0683077 +1    14    13     3