Accuracy

2(-1-methylethyl)-phenol    852 2(-1-Methylethyl)-phenol

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    #  Species Formula
   842 1-Tert-butoxybutaneC8H18O
   843 2-(1,1-Dimethylethoxy)-butaneC8H18O
   844 Di-n-butyl etherC8H18O
   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)-phenol C9H12O
   853 2,4,6-Trimethyl phenolC9H12O
   854 3(-1-Methylethyl)-phenolC9H12O
   855 4-(-1-Methylethyl)-phenolC9H12O
   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


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
2(-1-Methylethyl)-phenol
 H=-41.9 HR=NIST
  C    -0.04097062 +1  -0.03011539 +1  -0.11826291 +1
  C     1.32233958 +1  -0.05147558 +1  -0.40727355 +1
  C     1.97859681 +1   1.12134877 +1  -0.76875170 +1
  C     1.27935532 +1   2.32848397 +1  -0.84208193 +1
  C    -0.08067520 +1   2.38801085 +1  -0.55201790 +1
  C    -0.71675236 +1   1.18621395 +1  -0.19832785 +1
  O    -2.04998805 +1   1.27857797 +1   0.06421401 +1
  C    -1.17859778 +1   4.00170008 +1  -2.08697502 +1
  C    -0.12425946 +1   4.82407447 +1   0.05459525 +1
  H     3.04136220 +1   1.10115315 +1  -0.99627632 +1
  H    -0.56073954 +1  -0.93935307 +1   0.16092201 +1
  H     1.87159805 +1  -0.98996931 +1  -0.34982581 +1
  C    -0.86954362 +1   3.66535625 +1  -0.62105486 +1
  H     1.80812883 +1   3.23675340 +1  -1.13060275 +1
  H    -2.43788042 +1   0.40759109 +1   0.31691907 +1
  H    -1.75308044 +1   3.19621479 +1  -2.55968472 +1
  H    -0.26345537 +1   4.14177544 +1  -2.67075637 +1
  H    -1.77052597 +1   4.91986101 +1  -2.16379173 +1
  H     0.77161525 +1   5.11502500 +1  -0.50255557 +1
  H     0.18728939 +1   4.55220515 +1   1.06947526 +1
  H    -0.76715271 +1   5.70797592 +1   0.12960549 +1
  H    -1.84488497 +1   3.52619861 +1  -0.08095443 +1