Accuracy

11-n-butyl docosane    332 11-n-butyl docosane

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    #  Species Formula
   322 n-HexadecylcyclohexaneC22H44
   323 p-QuaterphenylC24H18
   324 1,1'-Diphenyl-1,1'-bicyclohexylC24H30
   325 6,6'-ParacyclophaneC24H32
   326 TetraphenylmethaneC25H20
   327 9,9'-Bi-9H-fluoreneC26H18
   328 1,1,1,2-TetraphenylethaneC26H22
   329 1,1,2,2-TetraphenylethaneC26H22
   330 Pentacyclo hexacosa nonaneC26H26
   331 2,3-Dimethyl-2,3-bis(4-t-butylphenyl)butaneC26H38
   332 11-n-butyl docosane C26H54
   333 5-n-butyl docosaneC26H54
   334 9,9'-Dimethyl-9,9'-bifluoreneC28H22
   335 1,1-Diphenyl-1,1-bicyclooctylC28H38
   336 11-Decyl heneicosaneC31H64
   337 2,4,5,7-Tetramethyl-4,5-bis(4-t-butylphenyl) octaneC32H50
   338 DotriacontaneC32H66
   339 4,5-Dipropyl-4,5-bis(4-t-butylphenyl) octaneC34H54
   340 Nitrogen, cationN
   341 Nitrogen, atomN
   342 AmidogenH2N


ΔHf: -141.8 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.
  

11-n-butyl docosane
 H=-141.8 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.53043658 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.53698190 +1  110.8387837 +1    0.0000000 +0     2     1     0
  C     1.53603700 +1  110.7547354 +1 -179.9561946 +1     3     2     1
  C     1.53630977 +1  110.6935231 +1 -179.9727775 +1     4     3     2
  C     1.53627366 +1  110.7058814 +1 -179.8842157 +1     5     4     3
  C     1.53619705 +1  110.6964653 +1 -179.9519810 +1     6     5     4
  C     1.53618763 +1  110.7048684 +1 -179.8933221 +1     7     6     5
  C     1.53612111 +1  110.6758933 +1 -179.8738941 +1     8     7     6
  C     1.53621109 +1  110.7011021 +1 -179.5616697 +1     9     8     7
  C     1.54540738 +1  111.2352742 +1 -177.2120201 +1    10     9     8
  C     1.54465207 +1  108.9030255 +1 -165.2592018 +1    11    10     9
  C     1.53546491 +1  111.7604384 +1  172.6112158 +1    12    11    10
  C     1.53666167 +1  110.6549812 +1 -176.2074668 +1    13    12    11
  C     1.53629274 +1  110.6457355 +1 -179.1012197 +1    14    13    12
  C     1.53623992 +1  110.7090514 +1 -179.7773014 +1    15    14    13
  C     1.53625866 +1  110.6967687 +1 -179.9561886 +1    16    15    14
  C     1.53625388 +1  110.6992847 +1 -179.9502461 +1    17    16    15
  C     1.53624669 +1  110.7048260 +1 -179.9918243 +1    18    17    16
  C     1.53602181 +1  110.6938891 +1 -179.9666333 +1    19    18    17
  C     1.53699864 +1  110.7545380 +1 -179.9954213 +1    20    19    18
  C     1.53044094 +1  110.8388960 +1 -179.9834774 +1    21    20    19
  C     1.54562046 +1  110.7272821 +1   72.0890763 +1    11    10     9
  C     1.53621541 +1  111.5794023 +1 -132.3529180 +1    23    11    10
  C     1.53715741 +1  110.7817563 +1 -176.8489301 +1    24    23    11
  C     1.53043537 +1  110.8370603 +1 -179.6175562 +1    25    24    23
  H     1.09866116 +1  111.1352511 +1 -179.9553449 +1     1     2     3
  H     1.09908821 +1  111.2825705 +1   60.0322328 +1     1     2     3
  H     1.09912672 +1  111.2707479 +1  -59.9784095 +1     1     2     3
  H     1.10788286 +1  109.9254063 +1   58.3725842 +1     2     1    27
  H     1.10784985 +1  109.9361855 +1  -58.2609275 +1     2     1    27
  H     1.10738870 +1  109.8606798 +1   58.2857515 +1     3     2     1
  H     1.10740523 +1  109.8485678 +1  -58.2014892 +1     3     2     1
  H     1.10752023 +1  109.9498377 +1   58.3585742 +1     4     3     2
  H     1.10752308 +1  109.9552295 +1  -58.3060473 +1     4     3     2
  H     1.10754522 +1  109.9440071 +1   58.4349381 +1     5     4     3
  H     1.10755973 +1  109.9364981 +1  -58.2048136 +1     5     4     3
  H     1.10751278 +1  109.9447420 +1   58.3752477 +1     6     5     4
  H     1.10751554 +1  109.9485631 +1  -58.2802023 +1     6     5     4
  H     1.10752575 +1  109.9534055 +1   58.4309853 +1     7     6     5
  H     1.10752160 +1  109.9446451 +1  -58.2152857 +1     7     6     5
  H     1.10743526 +1  109.9470384 +1   58.4302354 +1     8     7     6
  H     1.10748519 +1  109.9360918 +1  -58.2196214 +1     8     7     6
  H     1.10834384 +1  109.9567814 +1   58.4287915 +1     9     8     7
  H     1.10762587 +1  109.9933894 +1  -57.9563029 +1     9     8     7
  H     1.10787703 +1  109.2144025 +1   61.2739983 +1    10     9     8
  H     1.10668794 +1  110.3993660 +1  -54.9489801 +1    10     9     8
  H     1.11564567 +1  108.1422463 +1  -47.8931069 +1    11    10     9
  H     1.10841249 +1  109.4789573 +1   51.3769936 +1    12    11    10
  H     1.10688602 +1  109.9236671 +1  -64.8240512 +1    12    11    10
  H     1.10838846 +1  110.0843441 +1   62.2700802 +1    13    12    11
  H     1.10743477 +1  109.9653294 +1  -54.5216624 +1    13    12    11
  H     1.10743160 +1  110.0081086 +1   59.2370924 +1    14    13    12
  H     1.10743209 +1  109.9403272 +1  -57.4574604 +1    14    13    12
  H     1.10756904 +1  109.9443729 +1   58.5450107 +1    15    14    13
  H     1.10752027 +1  109.9350453 +1  -58.0945360 +1    15    14    13
  H     1.10752448 +1  109.9471793 +1   58.3694849 +1    16    15    14
  H     1.10752518 +1  109.9457526 +1  -58.2842352 +1    16    15    14
  H     1.10752710 +1  109.9477604 +1   58.3758792 +1    17    16    15
  H     1.10752804 +1  109.9444300 +1  -58.2771561 +1    17    16    15
  H     1.10753335 +1  109.9500957 +1   58.3361004 +1    18    17    16
  H     1.10753143 +1  109.9523856 +1  -58.3194812 +1    18    17    16
  H     1.10750779 +1  109.9425824 +1   58.3585339 +1    19    18    17
  H     1.10751155 +1  109.9405839 +1  -58.2926124 +1    19    18    17
  H     1.10739728 +1  110.0306592 +1   58.3533782 +1    20    19    18
  H     1.10739518 +1  110.0322293 +1  -58.3432898 +1    20    19    18
  H     1.10787019 +1  109.8909043 +1   58.3093500 +1    21    20    19
  H     1.10787217 +1  109.8901902 +1  -58.2766764 +1    21    20    19
  H     1.09866221 +1  111.1327198 +1 -179.9969563 +1    22    21    20
  H     1.09910371 +1  111.2767617 +1   60.0103538 +1    22    21    20
  H     1.09910124 +1  111.2778400 +1  -60.0028630 +1    22    21    20
  H     1.10739923 +1  110.2902668 +1  105.0800422 +1    23    11    10
  H     1.10844564 +1  110.5188322 +1  -10.7557498 +1    23    11    10
  H     1.10771008 +1  109.8413291 +1   61.6545761 +1    24    23    11
  H     1.10760562 +1  110.2639960 +1  -55.1150902 +1    24    23    11
  H     1.10787380 +1  109.8878146 +1   58.6877733 +1    25    24    23
  H     1.10781312 +1  109.9042614 +1  -57.8950943 +1    25    24    23
  H     1.09865655 +1  111.1343993 +1  179.9177573 +1    26    25    24
  H     1.09908435 +1  111.2770129 +1   59.9267998 +1    26    25    24
  H     1.09906295 +1  111.2749837 +1  -60.0842417 +1    26    25    24