Accuracy

cyclohexanone    781 Cyclohexanone

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    #  Species Formula
   771 2-EthylacroleinC5H8O
   772 3,4-Dihydro-2H-pyranC5H8O
   773 3-Penten-2-oneC5H8O
   774 CyclopentanoneC5H8O
   775 Diethyl ketoneC5H10O
   776 TetrahydropyranC5H10O
   777 t-Butyl methyl etherC5H12O
   778 Phenoxy, anionC6H5O
   779 PhenolC6H6O
   780 4-Methyl-3-penten-2-oneC6H10O
   781 Cyclohexanone C6H10O
   782 Methyl neopentyl ketoneC6H12O
   783 Di-isopropyl etherC6H14O
   784 BenzaldehydeC7H6O
   785 AnisoleC7H8O
   786 m-CresolC7H8O
   787 o-CresolC7H8O
   788 p-CresolC7H8O
   789 2-Methyl-5-hexen-3-yn-2-olC7H10O
   790 2-NorbornanoneC7H10O
   791 cis-2,3-Epoxybicyclo[2.2.1]heptaneC7H10O


ΔHf: -54.0 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
  
 PM7
Cyclohexanone
 H=-54.04 HR=C&P1970
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.50934306 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.53095609 +1  111.0131622 +1    0.0000000 +0     2     1     0
  C     1.53331745 +1  111.0029281 +1   51.6907202 +1     3     2     1
  C     1.53315755 +1  110.3102502 +1  -58.9829943 +1     4     3     2
  C     1.50951437 +1  117.2942246 +1  -47.8838642 +1     1     2     3
  O     1.20517009 +1  121.3530678 +1  133.9450515 +1     1     2     3
  H     1.10951116 +1  109.9979432 +1 -122.5939106 +1     2     1     3
  H     1.10844058 +1  108.9681955 +1  122.0942827 +1     2     1     3
  H     1.10640546 +1  109.8474226 +1  173.8232555 +1     3     2     1
  H     1.10767558 +1  109.8768617 +1  -70.2190814 +1     3     2     1
  H     1.10580423 +1  110.0630517 +1  179.3036973 +1     4     3     2
  H     1.10588263 +1  110.1763247 +1   62.9268690 +1     4     3     2
  H     1.10621835 +1  110.2971692 +1 -178.4310911 +1     5     4     3
  H     1.10775453 +1  110.0221264 +1  -62.1769694 +1     5     4     3
  H     1.10940221 +1  110.0492531 +1  170.9756344 +1     6     1     2
  H     1.10824624 +1  109.0746107 +1  -73.6054268 +1     6     1     2