Accuracy

tert-butyl isobutyl ether    848 tert-Butyl isobutyl ether

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    #  Species Formula
   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 etherC8H18O
   848 tert-Butyl isobutyl ether C8H18O
   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
   858 cis Octahydro-2H-inden-2-oneC9H14O


ΔHf: -88.0 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 isobutyl ether
 H=-88.0 HR=NIST
  H     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.09516106 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.53094388 +1  111.6134819 +1    0.0000000 +0     2     1     0
  C     1.54059668 +1  109.3737871 +1  -59.8126345 +1     3     2     1
  O     1.41864636 +1  104.1933671 +1 -165.5475161 +1     4     3     2
  C     1.41874390 +1  117.0443270 +1 -158.4111085 +1     5     4     3
  C     1.53208868 +1  111.4063073 +1  -53.9809507 +1     6     5     4
  C     1.53415609 +1  110.1456109 +1  124.1073224 +1     6     5     7
  C     1.53705952 +1  101.7245055 +1  117.5623063 +1     6     5     8
  C     1.53052539 +1  110.9335488 +1  121.8111589 +1     3     2     4
  H     1.09530445 +1  107.8188038 +1 -122.8548187 +1     2     1     3
  H     1.09607089 +1  107.3547714 +1 -115.3954755 +1     2     1    11
  H     1.11860878 +1  109.4486942 +1  120.0180082 +1     3     2    10
  H     1.10378711 +1  111.8612425 +1  116.0238468 +1     4     3     5
  H     1.10047377 +1  111.7723396 +1  123.2891803 +1     4     3    14
  H     1.09665474 +1  110.6320391 +1  -47.9080997 +1     7     6     5
  H     1.09373844 +1  112.1046736 +1  120.0584635 +1     7     6    16
  H     1.09458055 +1  111.1843878 +1  120.2857857 +1     7     6    17
  H     1.09362620 +1  112.0994967 +1  -73.8417241 +1     8     6     5
  H     1.09694559 +1  110.3205218 +1  119.5300278 +1     8     6    19
  H     1.09368756 +1  111.3401669 +1  119.8362685 +1     8     6    20
  H     1.09661297 +1  110.7901864 +1  -58.4213643 +1     9     6     5
  H     1.09655517 +1  110.7450724 +1  118.3604951 +1     9     6    22
  H     1.09216136 +1  111.4739930 +1  120.8213323 +1     9     6    23
  H     1.09852252 +1  110.2719689 +1 -175.9047169 +1    10     3     2
  H     1.09406807 +1  111.8853128 +1  119.7407223 +1    10     3    25
  H     1.09456285 +1  111.3626627 +1  120.7232065 +1    10     3    26