Accuracy

4-(1methylethyl)-phenol    855 4-(-1-Methylethyl)-phenol

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    #  Species Formula
   845 Di-sec-butyl etherC8H18O
   846 sec-Butyl-tert-butyl etherC8H18O
   847 tert-Butyl etherC8H18O
   848 tert-Butyl isobutyl etherC8H18O
   849 3,4-Dihydro-1H-2-benzopyranC9H10O
   850 3,4-Dihydro-2H-1-benzopyranC9H10O
   851 Benzyl methyl ketoneC9H10O
   852 2(-1-Methylethyl)-phenolC9H12O
   853 2,4,6-Trimethyl phenolC9H12O
   854 3(-1-Methylethyl)-phenolC9H12O
   855 4-(-1-Methylethyl)-phenol C9H12O
   856 2,6,6-Trimethyl-2-cyclohexen-1-oneC9H14O
   857 Bicycle[3.3.1]nonan-9-one -check -3-oneC9H14O
   858 cis Octahydro-2H-inden-2-oneC9H14O
   859 trans Octahydro-2H-inden-2-oneC9H14O
   860 CyclononanoneC9H16O
   861 2,6-Dimethyl-4-heptanoneC9H18O
   862 2-NonanoneC9H18O
   863 3,3,4,4-Tetramethyl-2-pentanoneC9H18O
   864 5-NonanoneC9H18O
   865 Di-tert-butyl ketoneC9H18O


ΔHf: -41.9 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
4-(-1-Methylethyl)-phenol
 H=-41.9 HR=NIST
  C     0.00254479 +1  -0.00968901 +1  -0.00320858 +1
  C     1.38901044 +1  -0.02174774 +1   0.07823430 +1
  C     2.08065047 +1   1.03498451 +1   0.68156239 +1
  C     1.36961885 +1   2.11498328 +1   1.20827130 +1
  C    -0.02097410 +1   2.15326154 +1   1.13996062 +1
  C    -0.68183118 +1   1.08492127 +1   0.53345772 +1
  O    -2.03701025 +1   1.03421640 +1   0.42052572 +1
  C     4.04918987 +1   0.98631744 +1   2.21606452 +1
  C     4.19104244 +1   2.17461030 +1  -0.00872970 +1
  H    -0.57149220 +1   2.99235245 +1   1.54933413 +1
  H    -0.54975417 +1  -0.82140098 +1  -0.46821172 +1
  H     1.94208353 +1  -0.86517797 +1  -0.33433805 +1
  C     3.58457200 +1   0.98901327 +1   0.75328525 +1
  H     1.90578308 +1   2.93942147 +1   1.67719644 +1
  H    -2.47191326 +1   1.82653504 +1   0.81577652 +1
  H     3.59641923 +1   0.15657003 +1   2.77089277 +1
  H     3.77418444 +1   1.91285627 +1   2.73089164 +1
  H     5.13697028 +1   0.88127201 +1   2.28455526 +1
  H     3.92015285 +1   3.13221335 +1   0.44791757 +1
  H     3.83866145 +1   2.19489638 +1  -1.04657416 +1
  H     5.28433023 +1   2.11646247 +1  -0.02698378 +1
  H     3.95219654 +1   0.04543369 +1   0.27306459 +1