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

n-tridecylcyclohexane    394 n-Tridecylcyclohexane

(Previous)     (Back)     (Next)        

   

    #  Species Formula
   384 1,1'-(1,1,2,2-Tetramethyl-1,2-ethanediyl)bis-benzeneC18H22
   385 DodecylcyclohexaneC18H36
   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-Tridecylcyclohexane C19H38
   395 NonadecaneC19H40
   396 9,10-Dihydro-9,10[1',2']benzanthraceneC20H14
   397 3,9-Dimethylbenz[a]anthraceneC20H16
   398 5,6-Dimethyl chryseneC20H16
   399 9,10-Dimethyl-1,2-benzanthraceneC20H16
   400 1,3,5-Tri-tert-butyl pentaleneC20H30
   401 HexacyclopropylethaneC20H30
   402 Tetra-tert-butyltetrahedraneC20H36
   403 Meso-3,4-dicyclohexyl-2,5-dimethylhexaneC20H38
   404 TetradecylcyclohexaneC20H40


ΔHf: -95.3 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.
  
 INT PM7
n-Tridecylcyclohexane
 H=-95.28 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.53435387 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.53418707 +1  110.7316885 +1    0.0000000 +0     2     1     0
  C     1.53917844 +1  110.6078001 +1  -57.4617245 +1     3     2     1
  C     1.54058892 +1  109.5472690 +1   58.1424493 +1     4     3     2
  C     1.53929388 +1  110.8263030 +1  179.3934564 +1     4     3     2
  C     1.53349389 +1  111.5483078 +1   74.9493506 +1     6     4     3
  C     1.53408137 +1  110.6505220 +1 -178.6575287 +1     7     6     4
  C     1.53374512 +1  110.6315505 +1 -178.3667293 +1     8     7     6
  C     1.53374204 +1  110.7313546 +1 -179.3275409 +1     9     8     7
  C     1.53374699 +1  110.6943202 +1 -179.1982885 +1    10     9     8
  C     1.53380524 +1  110.7240736 +1 -179.6652444 +1    11    10     9
  C     1.53375361 +1  110.6915536 +1 -179.4755806 +1    12    11    10
  C     1.53386406 +1  110.7105582 +1 -179.8116141 +1    13    12    11
  C     1.53379999 +1  110.6929159 +1 -179.6726841 +1    14    13    12
  C     1.53370197 +1  110.7131236 +1 -179.8973180 +1    15    14    13
  H     1.10580673 +1  109.8929642 +1  -64.8759273 +1     1     2     3
  H     1.10468324 +1  110.1189280 +1  178.5383734 +1     1     2     3
  H     1.10595627 +1  109.8480661 +1 -121.5600193 +1     2     1     3
  H     1.10483406 +1  110.1221657 +1  121.9411030 +1     2     1     3
  H     1.10480498 +1  109.9489874 +1 -179.3062187 +1     3     2     1
  H     1.10523241 +1  109.9521012 +1   64.2490816 +1     3     2     1
  H     1.11505755 +1  108.9778188 +1  -60.5740481 +1     4     3     2
  H     1.10441231 +1  110.1966215 +1  179.7374107 +1     5     4     3
  H     1.10516961 +1  109.9706284 +1   62.9551782 +1     5     4     3
  H     1.10532799 +1  110.0521194 +1  -47.7206825 +1     6     4     3
  H     1.10658148 +1  109.7491445 +1 -163.6121810 +1     6     4     3
  H     1.10593919 +1  110.2741189 +1  -56.8437758 +1     7     6     4
  H     1.10603508 +1  109.9881047 +1   59.5292639 +1     7     6     4
  H     1.10589852 +1  110.0127078 +1   59.8091121 +1     8     7     6
  H     1.10577169 +1  110.0919458 +1  -56.5578011 +1     8     7     6
  H     1.10597461 +1  110.0551658 +1  -57.4868717 +1     9     8     7
  H     1.10593515 +1  110.0369646 +1   58.8401113 +1     9     8     7
  H     1.10591651 +1  110.0493935 +1   58.9365191 +1    10     9     8
  H     1.10588802 +1  110.0578814 +1  -57.3969111 +1    10     9     8
  H     1.10595166 +1  110.0471523 +1  -57.8238674 +1    11    10     9
  H     1.10593399 +1  110.0414053 +1   58.5005816 +1    11    10     9
  H     1.10592317 +1  110.0494865 +1   58.6628685 +1    12    11    10
  H     1.10592324 +1  110.0456214 +1  -57.6715869 +1    12    11    10
  H     1.10595017 +1  110.0504463 +1  -57.9785591 +1    13    12    11
  H     1.10592737 +1  110.0502764 +1   58.3621978 +1    13    12    11
  H     1.10592626 +1  110.0613352 +1   58.4788762 +1    14    13    12
  H     1.10592228 +1  110.0537790 +1  -57.8694560 +1    14    13    12
  H     1.10592504 +1  110.0421545 +1  -58.0589910 +1    15    14    13
  H     1.10590455 +1  110.0430348 +1   58.2717500 +1    15    14    13
  H     1.10582777 +1  110.1064609 +1   58.3500662 +1    16    15    14
  H     1.10582423 +1  110.0951269 +1  -57.9721332 +1    16    15    14
  C     1.53434619 +1  110.7835197 +1 -179.7962402 +1    16    15    14
  H     1.10635336 +1  110.0062202 +1   58.1606285 +1    48    16    15
  H     1.10639222 +1  110.0050017 +1  -58.0810267 +1    48    16    15
  H     2.18152788 +1   95.6609677 +1 -155.9006513 +1    48    16    15
  C     1.09538925 +1   40.7213436 +1 -125.4463509 +1    51    48    16
  H     1.09563474 +1  107.5414342 +1  122.3651911 +1    52    51    48
  H     1.09544624 +1  107.5332037 +1 -122.1350794 +1    52    51    48
  C     1.53418842 +1  110.3335675 +1  -58.5397469 +1     5     4     3
  H     1.10481975 +1  110.0927413 +1 -179.8343118 +1    55     5     4
  H     1.10573638 +1  109.9349652 +1  -63.2959435 +1    55     5     4