Accuracy

2,4,6-trimethyl phenol    717 2,4,6-Trimethyl phenol

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    #  Species Formula
   707 2-(1,1-Dimethylethoxy)-butaneC8H18O
   708 sec-Butyl-tert-butyl etherC8H18O
   709 tert-Butyl etherC8H18O
   710 tert-Butyl isobutyl etherC8H18O
   711 Benzyl methyl ketoneC9H10O
   712 3,4-Dihydro-1H-2-benzopyranC9H10O
   713 3,4-Dihydro-2H-1-benzopyranC9H10O
   714 2(-1-Methylethyl)-phenolC9H12O
   715 3(-1-Methylethyl)-phenolC9H12O
   716 4-(-1-Methylethyl)-phenolC9H12O
   717 2,4,6-Trimethyl phenol C9H12O
   718 Bicycle[3.3.1]nonan-9-one -check -3-oneC9H14O
   719 cis Octahydro-2H-inden-2-oneC9H14O
   720 2,6,6-Trimethyl-2-cyclohexen-1-oneC9H14O
   721 trans Octahydro-2H-inden-2-oneC9H14O
   722 CyclononanoneC9H16O
   723 2-NonanoneC9H18O
   724 2,6-Dimethyl-4-heptanoneC9H18O
   725 5-NonanoneC9H18O
   726 Di-tert-butyl ketoneC9H18O
   727 3,3,4,4-Tetramethyl-2-pentanoneC9H18O


ΔHf: -42.3 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.
  

2,4,6-Trimethyl phenol
 H=-42.29 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.38884755 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.40063335 +1  120.5665564 +1    0.0000000 +0     2     1     0
  C     1.39191357 +1  120.0297077 +1   -0.0068670 +1     3     2     1
  C     1.39848102 +1  120.7624337 +1   -0.0087312 +1     4     3     2
  C     1.39514158 +1  118.1572023 +1    0.0189795 +1     5     4     3
  O     1.36310212 +1  123.4583946 +1 -179.9635527 +1     6     5     4
  C     1.49182709 +1  119.3421162 +1 -179.9698219 +1     3     2     4
  C     1.48690249 +1  122.1924621 +1 -179.9668513 +1     1     2     3
  C     1.48962990 +1  119.5913691 +1 -179.9633518 +1     5     4     6
  H     1.09994636 +1  111.1843127 +1   60.1065167 +1     8     3     2
  H     1.08791705 +1  119.8206689 +1  179.9651480 +1     2     1     3
  H     1.09990980 +1  111.2174305 +1 -119.5204438 +1     8     3    11
  H     1.08800348 +1  119.9727605 +1 -179.9844161 +1     4     3     5
  H     0.98939012 +1  111.6313740 +1   -0.1080578 +1     7     6     5
  H     1.09762958 +1  112.7514821 +1 -120.2506467 +1     8     3    13
  H     1.10235646 +1  110.8922682 +1 -120.6062677 +1     9     1     2
  H     1.10235429 +1  110.9178081 +1 -117.7169152 +1     9     1    17
  H     1.09625878 +1  113.0408070 +1 -121.1604297 +1     9     1    18
  H     1.10154751 +1  111.0622322 +1   60.1780975 +1    10     5     4
  H     1.10163324 +1  111.0761977 +1 -119.1390377 +1    10     5    20
  H     1.09824747 +1  113.6949720 +1 -120.3380579 +1    10     5    21