Accuracy

butyl cyclohexane    308 Butyl cyclohexane

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

    

    #  Species Formula
   298 CampheneC10H16
   299 PerhydrotriquinaceneC10H16
   300 1-Methyl-4-(1-methylethyl)-cyclohexeneC10H18
   301 4-Methyl-1-(1-methylethyl)-cyclohexeneC10H18
   302 cis-DecalinC10H18
   303 Spiro(4-5)decaneC10H18
   304 trans-DecalinC10H18
   305 (E)-2,2,5,5-Tetramethyl-3-hexeneC10H20
   306 (Z)-2,2,5,5-Tetramethyl-3-hexeneC10H20
   307 1-DeceneC10H20
   308 Butyl cyclohexane C10H20
   309 Pentyl cyclopentaneC10H20
   310 2,2,5,5-TetramethylhexaneC10H22
   311 3,3,4,4-TetramethylhexaneC10H22
   312 n-DecaneC10H22
   313 PentamethylbenzeneC11H16
   314 1,1,4-TrimethylcycloheptaneC11H22
   315 Hexyl cyclopentaneC11H22
   316 Pentyl cyclohexaneC11H22
   317 UndecaneC11H24
   318 AcenaphthyleneC12H8


ΔHf: -51.0 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
Butyl cyclohexane
 H=-50.95 HR=NIST
  C    -0.00447649 +1   0.00188239 +1   0.00880087 +1
  C     1.53203448 +1   0.04922318 +1  -0.07581579 +1
  C     2.02432503 +1   1.50211701 +1  -0.09580367 +1
  C     1.41425172 +1   2.25701049 +1  -1.28388910 +1
  C    -0.11790054 +1   2.20999140 +1  -1.21778841 +1
  C    -0.61096033 +1   0.75752607 +1  -1.18962196 +1
  C    -0.51034996 +1  -1.45200386 +1   0.01042760 +1
  C    -0.18021193 +1  -2.16796038 +1   1.32615946 +1
  C    -0.57315018 +1  -3.64977186 +1   1.25044662 +1
  C    -0.20022136 +1  -4.38089265 +1   2.54037489 +1
  H    -0.32985955 +1   0.50277847 +1   0.95002338 +1
  H     1.87654857 +1  -0.47928337 +1  -0.98322270 +1
  H     1.97896553 +1  -0.48842074 +1   0.77925280 +1
  H     3.12705203 +1   1.52763185 +1  -0.15467529 +1
  H     1.75616255 +1   2.00494872 +1   0.85135336 +1
  H     1.76478037 +1   3.30450277 +1  -1.29123435 +1
  H     1.76345924 +1   1.80850767 +1  -2.23270406 +1
  H    -0.55219523 +1   2.74038436 +1  -2.08456919 +1
  H    -0.47435639 +1   2.74747075 +1  -0.31964726 +1
  H    -1.71365373 +1   0.73428488 +1  -1.13424993 +1
  H    -0.33823832 +1   0.24934465 +1  -2.13269095 +1
  H    -1.60490024 +1  -1.46613866 +1  -0.15190722 +1
  H    -0.07353006 +1  -2.00189009 +1  -0.84356488 +1
  H    -0.70315209 +1  -1.67669273 +1   2.16700293 +1
  H     0.89925282 +1  -2.07978272 +1   1.55050902 +1
  H    -1.65851314 +1  -3.74425184 +1   1.06078250 +1
  H    -0.07116307 +1  -4.12894601 +1   0.38799898 +1
  H     0.87567222 +1  -4.31955769 +1   2.73861170 +1
  H    -0.72024859 +1  -3.95720847 +1   3.40621434 +1
  H    -0.46361855 +1  -5.44283228 +1   2.48479361 +1