Accuracy

n-duodecane    325 n-Duodecane

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    #  Species Formula
   315 Hexyl cyclopentaneC11H22
   316 Pentyl cyclohexaneC11H22
   317 UndecaneC11H24
   318 AcenaphthyleneC12H8
   319 BiphenyleneC12H8
   320 AcenaphtheneC12H10
   321 BiphenylC12H10
   322 Biphenyl, for torsion (Torsion angle) (Geo)C12H10
   323 HexamethylbenzeneC12H18
   324 HexylcyclohexaneC12H24
   325 n-Duodecane C12H26
   326 Tri-isobutylboraneH27BC12
   327 Tri-s-butylboraneH27BC12
   328 TributylboraneH27BC12
   329 FluoreneC13H10
   330 o-Methyl bipheny (Torsion angle) (Geo)C13H12
   331 Tri-t-butylmethaneC13H28
   332 TridecaneC13H28
   333 AnthraceneC14H10
   334 DiphenylethyneC14H10
   335 PhenanthreneC14H10


ΔHf: -69.2 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
  
 PM7
n-Duodecane
 H=-69.24,0.37 HR=C&P1970
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.52861039 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.53496994 +1  110.9380843 +1    0.0000000 +0     2     1     0
  C     1.53378122 +1  110.7441542 +1 -179.8701472 +1     3     2     1
  C     1.53401186 +1  110.7270010 +1 -179.8426384 +1     4     3     2
  C     1.53398375 +1  110.6669397 +1 -179.8587859 +1     5     4     3
  C     1.53396842 +1  110.7066709 +1 -179.8465206 +1     6     5     4
  C     1.53398781 +1  110.6737590 +1 -179.8752921 +1     7     6     5
  C     1.53398865 +1  110.7032132 +1 -179.8609271 +1     8     7     6
  C     1.53382907 +1  110.6932418 +1 -179.8949244 +1     9     8     7
  C     1.53463647 +1  110.7802946 +1 -179.8729638 +1    10     9     8
  C     1.52867655 +1  110.8963112 +1 -179.9233175 +1    11    10     9
  H     1.09556020 +1  111.2323651 +1 -179.8858987 +1    12    11    10
  H     1.09562446 +1  111.4354762 +1   60.1729366 +1    12    11    10
  H     1.09563593 +1  111.4465026 +1  -59.9342010 +1    12    11    10
  H     1.10631899 +1  109.9534755 +1   58.1964204 +1    11    10     9
  H     1.10631390 +1  109.9472187 +1  -58.0623249 +1    11    10     9
  H     1.10581087 +1  110.0472937 +1   58.2994063 +1    10     9     8
  H     1.10581868 +1  110.0601447 +1  -58.0272150 +1    10     9     8
  H     1.10591730 +1  109.9949198 +1   58.2626604 +1     9     8     7
  H     1.10591212 +1  109.9901711 +1  -58.0763795 +1     9     8     7
  H     1.10593387 +1  109.9996252 +1   58.3238026 +1     8     7     6
  H     1.10594695 +1  110.0127011 +1  -58.0234386 +1     8     7     6
  H     1.10593415 +1  110.0036526 +1   58.2892089 +1     7     6     5
  H     1.10592888 +1  109.9995856 +1  -58.0647528 +1     7     6     5
  H     1.10594204 +1  109.9830416 +1   58.3323717 +1     6     5     4
  H     1.10595728 +1  109.9968913 +1  -58.0012068 +1     6     5     4
  H     1.10592240 +1  109.9904394 +1   58.2956375 +1     5     4     3
  H     1.10591668 +1  109.9868284 +1  -58.0397796 +1     5     4     3
  H     1.10592789 +1  109.9858933 +1   58.3368484 +1     4     3     2
  H     1.10594389 +1  110.0001573 +1  -57.9950003 +1     4     3     2
  H     1.10576381 +1  109.9295869 +1   58.1980556 +1     3     2     1
  H     1.10575130 +1  109.9248633 +1  -57.9923609 +1     3     2     1
  H     1.10631237 +1  109.9490325 +1   58.2244927 +1     2     3     4
  H     1.10630076 +1  109.9422457 +1  -58.0168244 +1     2     3     4
  H     1.09554276 +1  111.2231656 +1 -179.8957699 +1     1     2     3
  H     1.09562745 +1  111.4430038 +1   60.1689285 +1     1     2     3
  H     1.09563906 +1  111.4528116 +1  -59.9498142 +1     1     2     3