Accuracy

phenetole    821 Phenetole

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    #  Species Formula
   811 2,4-Dimethyl phenolC8H10O
   812 2,5-Dimethyl phenolC8H10O
   813 2,6-Dimethyl phenolC8H10O
   814 2-Ethyl phenolC8H10O
   815 3,4-Dimethyl phenolC8H10O
   816 3,5-Dimethyl phenolC8H10O
   817 3-Ethyl phenolC8H10O
   818 4-Ethyl phenolC8H10O
   819 Benzyl alcoholC8H10O
   820 EthoxybenzeneC8H10O
   821 Phenetole C8H10O
   822 1-MethylnorcamphorC8H12O
   823 Bicyclo[2.2.2]octanoneC8H12O
   824 Bicyclo[3.2.1]octan-2-oneC8H12O
   825 Bicyclo[3.2.1]octan-3-oneC8H12O
   826 Bicyclo[3.2.1]octan-8-oneC8H12O
   827 cis-Bicyclo[3.3.0]-octan-2-oneC8H12O
   828 trans-Bicyclo[3.3.0]-octan-2-oneC8H12O
   829 3-Oxabicyclo[3,2,2]nonaneC8H14O
   830 6-Methyl-5-hepten-2-oneC8H14O
   831 8-Oxatricyclo[3,2,1,0(1,5)]octaneC8H14O


ΔHf: -26.3 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
  
 PM7
Phenetole
 H=-26.3 HR=C&P1970
  C     0.00882387 +1   0.02774151 +1   0.04351378 +1
  C     2.73530735 +1  -0.41106844 +1  -0.18851173 +1
  C     0.82230149 +1   0.98957107 +1  -0.54700100 +1
  C     0.56545907 +1  -1.16427273 +1   0.51660302 +1
  C     2.19577339 +1   0.78019066 +1  -0.67266919 +1
  C     1.92814471 +1  -1.39614149 +1   0.40652558 +1
  O     4.05010836 +1  -0.74950006 +1  -0.19604096 +1
  C     4.96908172 +1   0.07782466 +1  -0.90163807 +1
  C     4.86884701 +1  -0.17528641 +1  -2.39740883 +1
  H    -1.05925152 +1   0.20056383 +1   0.13691981 +1
  H     0.38516017 +1   1.91659828 +1  -0.91661174 +1
  H    -0.07698675 +1  -1.91597960 +1   0.97447327 +1
  H     2.81627156 +1   1.53814053 +1  -1.13528819 +1
  H     2.38041552 +1  -2.31562920 +1   0.76841625 +1
  H     5.93120844 +1  -0.27849603 +1  -0.47991466 +1
  H     4.83063057 +1   1.13767800 +1  -0.63153990 +1
  H     4.95971570 +1  -1.24744472 +1  -2.62065747 +1
  H     3.90200382 +1   0.15006710 +1  -2.80162332 +1
  H     5.65790707 +1   0.34811733 +1  -2.94808162 +1