Accuracy

butyl 1,1-dimethylpropyl ether    868 Butyl 1,1-dimethylpropyl ether

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    #  Species Formula
   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
   866 1-NonanolC9H20O
   867 Amyl-t-butyl etherC9H20O
   868 Butyl 1,1-dimethylpropyl ether C9H20O
   869 4-Phenyl-3-buten-2-oneC10H10O
   870 2-AdamantoneC10H14O
   871 2-Isopropyl-4-methylphenolC10H14O
   872 2-Isopropyl-5-methylphenolC10H14O
   873 2-Isopropyl-6-methylphenolC10H14O
   874 2-Methyl-5-isopropylphenolC10H14O
   875 3-Isopropyl-2-methylphenolC10H14O
   876 3-Methyl-2-isopropylphenolC10H14O
   877 3-Methyl-5-isopropylphenolC10H14O
   878 4-Isopropyl-2-methylphenolC10H14O


ΔHf: -91.3 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
Butyl 1,1-dimethylpropyl ether
 H=-91.35 HR=NIST
  O     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.41379448 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.53390860 +1  108.0321048 +1    0.0000000 +0     2     1     0
  C     1.53149720 +1  110.4808984 +1 -170.5664696 +1     3     2     1
  C     1.52923128 +1  110.6966860 +1 -179.0037358 +1     4     3     2
  C     1.41847829 +1  118.1181362 +1 -108.0071023 +1     1     2     3
  C     1.53308750 +1  110.4160830 +1  -64.1609630 +1     6     1     2
  C     1.53410356 +1  111.3917209 +1  123.6185873 +1     6     1     7
  C     1.54792825 +1  101.9865024 +1  116.9938035 +1     6     1     8
  H     1.10862241 +1  108.5435500 +1  -60.1727274 +1     9     6     1
  H     1.10705405 +1  103.0063033 +1 -118.0425444 +1     2     1     3
  H     1.09956654 +1  112.8205116 +1 -117.4170479 +1     2     1    11
  H     1.10733162 +1  109.2660219 +1  121.9505870 +1     3     2     4
  H     1.10427880 +1  110.2449428 +1  115.3597216 +1     3     2    13
  H     1.10696198 +1  110.0748322 +1 -121.5933092 +1     4     3     5
  H     1.10624361 +1  110.1868279 +1 -116.6388097 +1     4     3    15
  H     1.09598810 +1  111.3600360 +1  -59.8078619 +1     5     4     3
  H     1.09563401 +1  111.4473078 +1  119.9838424 +1     5     4    17
  H     1.09522659 +1  111.3071784 +1  120.0672043 +1     5     4    18
  H     1.09375535 +1  112.1708818 +1   78.4342894 +1     7     6     1
  H     1.09717906 +1  110.4661363 +1 -119.8416011 +1     7     6    20
  H     1.09429596 +1  111.1914414 +1 -119.6131726 +1     7     6    21
  H     1.09455964 +1  111.8426692 +1  -67.5221356 +1     8     6     1
  H     1.09638113 +1  110.7727187 +1  119.7458727 +1     8     6    23
  H     1.09439670 +1  111.2127056 +1  120.0531986 +1     8     6    24
  H     1.10429683 +1  109.3444116 +1 -115.9045807 +1     9     6    10
  C     1.52709633 +1  112.5154258 +1 -123.0360268 +1     9     6    26
  H     1.09897600 +1  110.7997808 +1  -51.9743405 +1    27     9     6
  H     1.09494579 +1  111.1996603 +1 -119.7103136 +1    27     9    28
  H     1.09464560 +1  111.7882221 +1 -120.4812788 +1    27     9    29