Accuracy

dipentyl ether    895 Dipentyl ether

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    #  Species Formula
   885 p-tert-Butyl phenolC10H14O
   886 1-AdamantolC10H16O
   887 2-AdamantolC10H16O
   888 CamphorC10H16O
   889 Octahydro-3a-methyl-cis-2H-inden-2-oneC10H16O
   890 Octahydro-3a-methyl-trans-2H-inden-2-oneC10H16O
   891 Beta-caran-3-olC10H18O
   892 CyclodecanoneC10H18O
   893 2,2,5,5-Tetramethyl-3-hexanoneC10H20O
   894 DecanolC10H22O
   895 Dipentyl ether C10H22O
   896 2,4,5-Trimethyl-acetophenoneC11H14O
   897 2,4,6-Trimethyl-acetophenoneC11H14O
   898 2-tert-Butyl-p-cresolC11H16O
   899 3-Methyl-2-phenylbutane-2-olC11H16O
   900 CycloundecanoneC11H20O
   901 2,2,6,6-Tetramethyl-4-heptanoneC11H22O
   902 Dipentyl ketoneC11H22O
   903 Decyl methyl etherC11H24O
   904 DibenzofuranC12H8O
   905 m-HydroxybiphenylC12H10O


ΔHf: -93.1 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
Dipentyl ether
 H=-93.1 HR=NIST
  C    -0.04861560 +1  -0.35629751 +1  -0.04240390 +1
  C     1.33916915 +1  -0.96129838 +1   0.16919417 +1
  C     2.37583973 +1   0.13553222 +1   0.44845045 +1
  C     3.77505906 +1  -0.46663955 +1   0.59828733 +1
  C     4.80988496 +1   0.63322578 +1   0.86006532 +1
  O     6.10847073 +1   0.08529761 +1   0.96119819 +1
  C     6.71326315 +1  -0.21557566 +1  -0.29134667 +1
  C     8.08431728 +1  -0.78720206 +1   0.07993362 +1
  C     9.08043119 +1   0.33163465 +1   0.40372686 +1
  C    10.46042327 +1  -0.24798670 +1   0.74043755 +1
  C    11.46045603 +1   0.86351553 +1   1.06015924 +1
  H    -0.38124009 +1   0.20117149 +1   0.84023924 +1
  H    -0.05926387 +1   0.33458600 +1  -0.89250258 +1
  H    -0.79538951 +1  -1.13283062 +1  -0.24170388 +1
  H     1.31539722 +1  -1.68133296 +1   1.00897575 +1
  H     1.63530942 +1  -1.54609182 +1  -0.72183438 +1
  H     2.09808884 +1   0.69128874 +1   1.36416237 +1
  H     2.36563009 +1   0.87800635 +1  -0.37194544 +1
  H     3.79891119 +1  -1.20156308 +1   1.42539013 +1
  H     4.04644633 +1  -1.03745155 +1  -0.30853968 +1
  H     4.67757277 +1   1.08959428 +1   1.86027136 +1
  H     4.77519930 +1   1.42753363 +1   0.09638953 +1
  H    11.13466748 +1   1.46107019 +1   1.91909553 +1
  H    11.58540260 +1   1.54590894 +1   0.21218412 +1
  H     6.79065535 +1   0.70538117 +1  -0.89351527 +1
  H     6.09742978 +1  -0.95468873 +1  -0.83176797 +1
  H     7.97040147 +1  -1.45654087 +1   0.95786345 +1
  H     8.46203885 +1  -1.41886724 +1  -0.74366558 +1
  H     8.69881949 +1   0.93134023 +1   1.25325208 +1
  H     9.16021464 +1   1.03207954 +1  -0.44735996 +1
  H    10.37921306 +1  -0.94027830 +1   1.59959647 +1
  H    10.83081058 +1  -0.85588453 +1  -0.10627606 +1
  H    12.44668937 +1   0.45202056 +1   1.30124409 +1