Accuracy

pentadecane    361 Pentadecane

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

    

    #  Species Formula
   351 OctylcyclohexaneC14H28
   352 3,3,4,4-TetraethylhexaneC14H30
   353 OctamethylhexaneC14H30
   354 TetradecaneC14H30
   355 4-MethylphenanthreneC15H12
   356 1-MethyldiadamantaneC15H22
   357 3-MethyladamantaneC15H22
   358 4-MethyldiadamantaneC15H22
   359 6-(1,1-dimethylethyl)-2,3-dihydro-1,1-dimethyl-1H-IndeneC15H22
   360 n-NonylcyclohexaneC15H30
   361 Pentadecane C15H32
   362 FluorantheneC16H10
   363 PyreneC16H10
   364 2,7-DimethylphenanthreneC16H14
   365 4,5,9,10-TetrahydropyreneC16H14
   366 9,10-DimethylphenanthreneC16H14
   367 (2.2)MetaparacyclophaneC16H16
   368 [2.2]MetacyclophaneC16H16
   369 [2.2]ParacyclophaneC16H16
   370 1,2,3,6,7,8-HexahydropyreneC16H18
   371 Tricyclo[8.2.2.2]-hexadecaneC16H28


ΔHf: -84.8 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.
  
 PM7
Pentadecane
 H=-84.81 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.52880650 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.53451642 +1  110.9588248 +1    0.0000000 +0     2     1     0
  C     1.53383824 +1  110.7310963 +1 -179.8211800 +1     3     2     1
  C     1.53396991 +1  110.7602965 +1 -179.8421132 +1     4     3     2
  C     1.53398429 +1  110.6530423 +1 -179.8327338 +1     5     4     3
  C     1.53394509 +1  110.7445651 +1 -179.8653907 +1     6     5     4
  C     1.53392991 +1  110.6607737 +1 -179.8519590 +1     7     6     5
  C     1.53393653 +1  110.7428698 +1 -179.8771750 +1     8     7     6
  C     1.53393811 +1  110.6674085 +1 -179.8823508 +1     9     8     7
  C     1.53398836 +1  110.7306395 +1 -179.8943685 +1    10     9     8
  H     1.09564534 +1  111.4349652 +1  -59.9408017 +1     1     2     3
  H     1.09563421 +1  111.4261821 +1  120.1072736 +1     1     2    12
  H     1.09545082 +1  111.2351594 +1  119.9388226 +1     1     2    13
  H     1.10626907 +1  109.9710485 +1  121.9280521 +1     2     1     3
  H     1.10637855 +1  109.9347951 +1  116.1948775 +1     2     1    15
  H     1.10567786 +1  109.9796080 +1  121.8972560 +1     3     2     4
  H     1.10576596 +1  109.9676384 +1  116.2030370 +1     3     2    17
  H     1.10585279 +1  110.0149053 +1 -121.8436519 +1     4     3     5
  H     1.10592209 +1  110.0147606 +1 -116.3204506 +1     4     3    19
  H     1.10579024 +1  110.0366647 +1  121.8275365 +1     5     4     6
  H     1.10587981 +1  110.0209991 +1  116.3423193 +1     5     4    21
  H     1.10584671 +1  110.0308681 +1  121.8614386 +1     6     5     7
  H     1.10595075 +1  109.9951691 +1  116.3195590 +1     6     5    23
  H     1.10579617 +1  110.0432252 +1  121.8259704 +1     7     6     8
  H     1.10589846 +1  110.0301720 +1  116.3481330 +1     7     6    25
  H     1.10584167 +1  110.0358830 +1  121.8609535 +1     8     7     9
  H     1.10594692 +1  110.0017484 +1  116.3188269 +1     8     7    27
  H     1.10579956 +1  110.0429736 +1  121.8277300 +1     9     8    10
  H     1.10590613 +1  110.0297238 +1  116.3477695 +1     9     8    29
  H     1.10583453 +1  110.0424390 +1  121.8549157 +1    10     9    11
  H     1.10593955 +1  110.0061605 +1  116.3341399 +1    10     9    31
  H     1.10588498 +1  110.0349815 +1  -58.0003496 +1    11    10     9
  H     1.10583647 +1  110.0529352 +1  116.3519425 +1    11    10    33
  C     1.53394217 +1  110.6768126 +1  121.8378703 +1    11    10    34
  C     1.53383358 +1  110.7301554 +1 -179.9276009 +1    35    11    10
  H     1.10582263 +1  110.0208981 +1 -121.8399416 +1    35    11    36
  H     1.10590899 +1  110.0164505 +1 -116.3243323 +1    35    11    37
  H     1.10577245 +1  110.0772651 +1  -58.0882701 +1    36    35    11
  H     1.10571463 +1  110.0940770 +1  116.3286858 +1    36    35    39
  C     1.53456251 +1  110.7729102 +1  121.8496669 +1    36    35    40
  H     1.10635684 +1  109.9840009 +1  -58.0809174 +1    41    36    35
  H     1.10625857 +1  109.9936362 +1  116.2380135 +1    41    36    42
  C     1.52878109 +1  110.9105852 +1  121.8787834 +1    41    36    43
  H     1.09567087 +1  111.4334026 +1   59.9799193 +1    44    41    36
  H     1.09566041 +1  111.4270549 +1 -120.1096156 +1    44    41    45
  H     1.09549030 +1  111.2474959 +1 -119.9365613 +1    44    41    46