Accuracy

tert-butyl ether    847 tert-Butyl ether

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    #  Species Formula
   837 3,3,4-Trimethyl pentan-2-oneC8H16O
   838 3-OctanoneC8H16O
   839 4-OctanoneC8H16O
   840 OctanalC8H16O
   841 1-OctanolC8H18O
   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 ether C8H18O
   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)-phenolC9H12O
   856 2,6,6-Trimethyl-2-cyclohexen-1-oneC9H14O
   857 Bicycle[3.3.1]nonan-9-one -check -3-oneC9H14O


ΔHf: -86.3 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.
  
 PM7
tert-Butyl ether
 H=-86.3 HR=NIST
  C    -0.03333080 +1   0.06459084 +1  -0.01102691 +1
  C    -1.38736990 +1  -0.62058467 +1  -0.24913829 +1
  O    -1.86435327 +1  -1.17416587 +1   0.95997020 +1
  C    -2.55321065 +1  -0.47251752 +1   1.97503946 +1
  C    -4.03627256 +1  -0.33371731 +1   1.60098612 +1
  C    -2.39990242 +1  -1.45952973 +1   3.15363465 +1
  C    -1.94065860 +1   0.88031482 +1   2.33942181 +1
  C    -2.36914390 +1   0.31751950 +1  -0.95219557 +1
  C    -1.18716960 +1  -1.90111490 +1  -1.08989139 +1
  H    -0.14458199 +1   1.07335192 +1   0.39270325 +1
  H     0.56408616 +1  -0.51482710 +1   0.70339885 +1
  H     0.53930107 +1   0.14265736 +1  -0.94010245 +1
  H    -4.22000210 +1   0.51236276 +1   0.93546432 +1
  H    -4.38074846 +1  -1.23963587 +1   1.08774900 +1
  H    -4.65650360 +1  -0.19413556 +1   2.49123542 +1
  H    -2.76693039 +1  -2.45282106 +1   2.86824195 +1
  H    -1.34560739 +1  -1.57589779 +1   3.42673212 +1
  H    -2.95511293 +1  -1.12213017 +1   4.03062547 +1
  H    -0.87043442 +1   0.77967877 +1   2.55270442 +1
  H    -2.05534071 +1   1.61372973 +1   1.53634861 +1
  H    -2.41736491 +1   1.29486369 +1   3.23427381 +1
  H    -3.34718074 +1  -0.16081621 +1  -1.07671714 +1
  H    -2.51868212 +1   1.24819950 +1  -0.39747428 +1
  H    -2.00299561 +1   0.58420743 +1  -1.94955527 +1
  H    -0.54491285 +1  -2.61217676 +1  -0.55680863 +1
  H    -2.14481816 +1  -2.40287075 +1  -1.26376163 +1
  H    -0.73059367 +1  -1.67518295 +1  -2.05507736 +1