Accuracy

2-(1,1-dimethylethoxy)-butane    843 2-(1,1-Dimethylethoxy)-butane

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    #  Species Formula
   833 cis-1,2-EpoxycyclooctaneC8H14O
   834 CyclooctanoneC8H14O
   835 2,2,4-Trimethyl-3-pentanoneC8H16O
   836 2-OctanoneC8H16O
   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)-butane C8H18O
   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)-phenolC9H12O
   853 2,4,6-Trimethyl phenolC9H12O


ΔHf: -90.8 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-(1,1-Dimethylethoxy)-butane
 HR=NIST H=-90.82
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.52614311 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.54121549 +1  111.6572976 +1    0.0000000 +0     2     1     0
  O     1.41912965 +1  104.8139234 +1   88.3489083 +1     3     2     1
  C     1.41785187 +1  118.8731217 +1 -135.5033604 +1     4     3     2
  C     1.53315806 +1  111.8180425 +1  -56.7589228 +1     5     4     3
  C     1.53387702 +1  110.5040036 +1  124.1843602 +1     5     4     6
  C     1.53822187 +1  101.5623804 +1  117.6446824 +1     5     4     7
  C     1.53409748 +1  110.7709804 +1  115.1582514 +1     3     2     4
  H     1.09488339 +1  111.7739475 +1   61.1113816 +1     1     2     3
  H     1.09752860 +1  110.8962064 +1 -120.2477657 +1     1     2    10
  H     1.09560334 +1  111.2666772 +1 -119.4098721 +1     1     2    11
  H     1.10450363 +1  110.1493986 +1 -122.7269480 +1     2     1     3
  H     1.10956166 +1  110.0105078 +1 -116.5968928 +1     2     1    13
  H     1.10810518 +1  111.4128290 +1  124.1248435 +1     3     2     9
  H     1.09626777 +1  110.5652661 +1  -52.1368763 +1     6     5     4
  H     1.09372397 +1  111.9039585 +1  120.0603427 +1     6     5    16
  H     1.09432987 +1  111.0437339 +1  120.3215201 +1     6     5    17
  H     1.09376166 +1  111.8332711 +1  -69.3213211 +1     7     5     4
  H     1.09690314 +1  110.3688852 +1  119.6713183 +1     7     5    19
  H     1.09369451 +1  111.2992270 +1  119.7180159 +1     7     5    20
  H     1.09628815 +1  110.6875184 +1  -60.5842048 +1     8     5     4
  H     1.09654996 +1  110.5878959 +1  118.3654511 +1     8     5    22
  H     1.09213673 +1  111.3228663 +1  120.8307354 +1     8     5    23
  H     1.09452046 +1  111.1202775 +1 -177.7919224 +1     9     3     2
  H     1.09698888 +1  110.5007125 +1  118.4815762 +1     9     3    25
  H     1.09295463 +1  111.5838644 +1  120.6355322 +1     9     3    26