Accuracy

octadecane    386 Octadecane

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

    

    #  Species Formula
   376 UndecylcyclohexaneC17H34
   377 HeptadecaneC17H36
   378 p-TerphenylC18H14
   379 2,5-Diphenyl-1,5-hexadieneC18H18
   380 3,4,5,6-TetramethylphenanthreneC18H18
   381 [3.3]ParacyclophaneC18H20
   382 1,1'-(1,1,2,2-Tetramethyl-1,2-ethanediyl)bis-benzeneC18H22
   383 DodecylcyclohexaneC18H36
   384 n-TridecylcyclopentaneC18H36
   385 1,1,2,2-Tetra-t-butylethaneC18H38
   386 Octadecane C18H38
   387 TriphenylboraneH15BC18
   388 TricyclohexylboraneH33BC18
   389 Tri-n-hexylboraneH39BC18
   390 2,6-Diphenyl-1,6-heptadieneC19H20
   391 n-TetradecylcyclopentaneC19H38
   392 n-TridecylcyclohexaneC19H38
   393 NonadecaneC19H40
   394 9,10-Dihydro-9,10[1',2']benzanthraceneC20H14
   395 3,9-Dimethylbenz[a]anthraceneC20H16
   396 5,6-Dimethyl chryseneC20H16


ΔHf: -99.1 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
Octadecane
 H=-99.08 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.52877101 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.53454290 +1  110.9543897 +1    0.0000000 +0     2     1     0
  C     1.53384388 +1  110.7243746 +1 -179.5086195 +1     3     2     1
  C     1.53395580 +1  110.7512243 +1 -179.4747205 +1     4     3     2
  C     1.53399905 +1  110.6432056 +1 -179.5015166 +1     5     4     3
  C     1.53393440 +1  110.7378057 +1 -179.4905147 +1     6     5     4
  C     1.53393689 +1  110.6470729 +1 -179.5329787 +1     7     6     5
  C     1.53393059 +1  110.7411158 +1 -179.5204461 +1     8     7     6
  C     1.53394328 +1  110.6511420 +1 -179.5780390 +1     9     8     7
  C     1.53393276 +1  110.7370318 +1 -179.5678615 +1    10     9     8
  C     1.53393458 +1  110.6556342 +1 -179.6371361 +1    11    10     9
  C     1.53393758 +1  110.7303418 +1 -179.6275195 +1    12    11    10
  C     1.53399451 +1  110.6566685 +1 -179.7080077 +1    13    12    11
  C     1.53396229 +1  110.7213605 +1 -179.6976304 +1    14    13    12
  C     1.53383400 +1  110.6753112 +1 -179.7841547 +1    15    14    13
  C     1.53456797 +1  110.7951637 +1 -179.7800472 +1    16    15    14
  C     1.52881629 +1  110.8853901 +1 -179.8792884 +1    17    16    15
  H     1.09544573 +1  111.2442450 +1 -179.9211329 +1     1     2     3
  H     1.09564784 +1  111.4307300 +1   60.1335453 +1     1     2     3
  H     1.09565597 +1  111.4385223 +1  -59.9583889 +1     1     2     3
  H     1.10634568 +1  109.9456806 +1   58.1993976 +1     2     1    19
  H     1.10632789 +1  109.9691621 +1  -58.0201881 +1     2     1    19
  H     1.10562182 +1  110.0006439 +1   58.5465819 +1     3     2     1
  H     1.10585005 +1  109.9370114 +1  -57.6705500 +1     3     2     1
  H     1.10577557 +1  110.0320610 +1   58.6620639 +1     4     3     2
  H     1.10602173 +1  109.9911856 +1  -57.6714197 +1     4     3     2
  H     1.10574865 +1  110.0535207 +1   58.6292796 +1     5     4     3
  H     1.10595962 +1  110.0016353 +1  -57.7285848 +1     5     4     3
  H     1.10580138 +1  110.0255541 +1   58.6504194 +1     6     5     4
  H     1.10602752 +1  109.9906906 +1  -57.6834793 +1     6     5     4
  H     1.10576484 +1  110.0596698 +1   58.6068170 +1     7     6     5
  H     1.10595536 +1  110.0133248 +1  -57.7596934 +1     7     6     5
  H     1.10581527 +1  110.0284320 +1   58.6224904 +1     8     7     6
  H     1.10601903 +1  109.9984210 +1  -57.7099598 +1     8     7     6
  H     1.10577713 +1  110.0555823 +1   58.5661702 +1     9     8     7
  H     1.10593835 +1  110.0161745 +1  -57.8004710 +1     9     8     7
  H     1.10582976 +1  110.0249830 +1   58.5805713 +1    10     9     8
  H     1.10600046 +1  110.0026583 +1  -57.7528111 +1    10     9     8
  H     1.10579570 +1  110.0499641 +1   58.5108775 +1    11    10     9
  H     1.10592237 +1  110.0180446 +1  -57.8535592 +1    11    10     9
  H     1.10584771 +1  110.0238909 +1   58.5272544 +1    12    11    10
  H     1.10598148 +1  110.0091966 +1  -57.8085566 +1    12    11    10
  H     1.10581244 +1  110.0489888 +1   58.4522166 +1    13    12    11
  H     1.10590593 +1  110.0244304 +1  -57.9232019 +1    13    12    11
  H     1.10585708 +1  110.0308292 +1   58.4707406 +1    14    13    12
  H     1.10595135 +1  110.0256792 +1  -57.8804642 +1    14    13    12
  H     1.10582289 +1  110.0330059 +1   58.3761042 +1    15    14    13
  H     1.10587344 +1  110.0200365 +1  -57.9831591 +1    15    14    13
  H     1.10575686 +1  110.0705310 +1   58.3895804 +1    16    15    14
  H     1.10579658 +1  110.0792186 +1  -57.9449417 +1    16    15    14
  H     1.10628696 +1  109.9912659 +1   58.2469157 +1    17    16    15
  H     1.10628980 +1  109.9875761 +1  -58.0221885 +1    17    16    15
  H     1.09546815 +1  111.2586044 +1 -179.8557361 +1    18    17    16
  H     1.09565979 +1  111.4205436 +1   60.1928803 +1    18    17    16
  H     1.09565320 +1  111.4379788 +1  -59.8890852 +1    18    17    16