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

dodecylcyclohexane    385 Dodecylcyclohexane

(Previous)     (Back)     (Next)        

   

    #  Species Formula
   375 DecylcyclohexaneC16H32
   376 n-UndecylcyclopentaneC16H32
   377 n-DodecylcyclopentaneC17H34
   378 UndecylcyclohexaneC17H34
   379 HeptadecaneC17H36
   380 p-TerphenylC18H14
   381 2,5-Diphenyl-1,5-hexadieneC18H18
   382 3,4,5,6-TetramethylphenanthreneC18H18
   383 [3.3]ParacyclophaneC18H20
   384 1,1'-(1,1,2,2-Tetramethyl-1,2-ethanediyl)bis-benzeneC18H22
   385 Dodecylcyclohexane C18H36
   386 n-TridecylcyclopentaneC18H36
   387 1,1,2,2-Tetra-t-butylethaneC18H38
   388 OctadecaneC18H38
   389 TriphenylboraneH15BC18
   390 TricyclohexylboraneH33BC18
   391 Tri-n-hexylboraneH39BC18
   392 2,6-Diphenyl-1,6-heptadieneC19H20
   393 n-TetradecylcyclopentaneC19H38
   394 n-TridecylcyclohexaneC19H38
   395 NonadecaneC19H40


ΔHf: -90.4 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.
  
 INT PM7
Dodecylcyclohexane
 H=-90.36 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.53423583 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.53451589 +1  110.5985717 +1    0.0000000 +0     2     1     0
  C     1.53455536 +1  110.4498555 +1  -57.0249784 +1     3     2     1
  C     1.53416392 +1  110.6079658 +1   56.9086164 +1     4     3     2
  C     1.53922371 +1  110.4986701 +1  -57.9484957 +1     5     4     3
  C     1.53915504 +1  110.9518300 +1  179.7325804 +1     6     5     4
  C     1.53360315 +1  111.5976312 +1   74.1532847 +1     7     6     5
  C     1.53417473 +1  110.6172893 +1 -178.7939511 +1     8     7     6
  C     1.53377851 +1  110.6443050 +1 -178.8200284 +1     9     8     7
  C     1.53383745 +1  110.7048024 +1 -179.4982574 +1    10     9     8
  C     1.53379607 +1  110.7042766 +1 -179.5767578 +1    11    10     9
  C     1.53390463 +1  110.7001346 +1 -179.8207907 +1    12    11    10
  C     1.53385827 +1  110.6935032 +1 -179.8024328 +1    13    12    11
  C     1.53392472 +1  110.6941080 +1 -179.9325246 +1    14    13    12
  C     1.53374541 +1  110.7017065 +1 -179.9488038 +1    15    14    13
  C     1.53447577 +1  110.7780441 +1  179.9930281 +1    16    15    14
  C     1.52870123 +1  110.8966856 +1  179.9946709 +1    17    16    15
  H     1.10513633 +1  109.9849042 +1  -63.4011186 +1     1     2     3
  H     1.10445357 +1  109.9952151 +1  179.9123981 +1     1     2     3
  H     1.10484694 +1  110.0890861 +1  121.9179715 +1     2     1     3
  H     1.10583193 +1  109.9259448 +1 -121.5619307 +1     2     1     3
  H     1.10462255 +1  110.1621330 +1 -178.9379496 +1     3     2     1
  H     1.10571318 +1  109.9071958 +1   64.4298964 +1     3     2     1
  H     1.10501226 +1  110.0657232 +1  178.6951135 +1     4     3     2
  H     1.10559518 +1  109.9602442 +1  -64.7598834 +1     4     3     2
  H     1.10525239 +1  110.0015013 +1   63.6777393 +1     5     4     3
  H     1.10481721 +1  109.9881871 +1 -179.8491673 +1     5     4     3
  H     1.11532266 +1  108.8911798 +1  -60.2040911 +1     6     5     4
  H     1.10543426 +1  110.0108728 +1  -48.5031901 +1     7     6     5
  H     1.10673841 +1  109.6965903 +1 -164.3998880 +1     7     6     5
  H     1.10597543 +1  110.2668790 +1  -56.9919700 +1     8     7     6
  H     1.10609575 +1  109.9754314 +1   59.4044306 +1     8     7     6
  H     1.10606230 +1  109.9866272 +1   59.3794848 +1     9     8     7
  H     1.10587587 +1  110.0526545 +1  -56.9914005 +1     9     8     7
  H     1.10603625 +1  110.0429867 +1  -57.6684582 +1    10     9     8
  H     1.10602512 +1  110.0292700 +1   58.6784549 +1    10     9     8
  H     1.10604019 +1  110.0280513 +1   58.5763420 +1    11    10     9
  H     1.10599606 +1  110.0222844 +1  -57.7606009 +1    11    10     9
  H     1.10601251 +1  110.0350783 +1  -57.9919823 +1    12    11    10
  H     1.10602520 +1  110.0306430 +1   58.3518393 +1    12    11    10
  H     1.10603984 +1  110.0301256 +1   58.3574434 +1    13    12    11
  H     1.10602222 +1  110.0172941 +1  -57.9933720 +1    13    12    11
  H     1.10601608 +1  110.0414396 +1  -58.1128466 +1    14    13    12
  H     1.10601461 +1  110.0425023 +1   58.2456434 +1    14    13    12
  H     1.10601581 +1  110.0252997 +1   58.2104272 +1    15    14    13
  H     1.10600048 +1  110.0115916 +1  -58.1340250 +1    15    14    13
  H     1.10592293 +1  110.0819424 +1  -58.1726847 +1    16    15    14
  H     1.10590491 +1  110.0851714 +1   58.1581524 +1    16    15    14
  H     1.10642164 +1  109.9963635 +1   58.1131557 +1    17    16    15
  H     1.10640704 +1  109.9860132 +1  -58.1427064 +1    17    16    15
  H     1.09568198 +1  111.4280333 +1  -60.0160932 +1    18    17    16
  H     1.09566972 +1  111.4232174 +1   60.0625213 +1    18    17    16
  H     1.09544216 +1  111.2727470 +1 -179.9801006 +1    18    17    16