Accuracy

dipentyl ketone    902 Dipentyl ketone

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    #  Species Formula
   892 CyclodecanoneC10H18O
   893 2,2,5,5-Tetramethyl-3-hexanoneC10H20O
   894 DecanolC10H22O
   895 Dipentyl etherC10H22O
   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 ketone C11H22O
   903 Decyl methyl etherC11H24O
   904 DibenzofuranC12H8O
   905 m-HydroxybiphenylC12H10O
   906 o-HydroxybiphenylC12H10O
   907 p-HydroxybiphenylC12H10O
   908 Isobutyl phenyl ketoneC12H16O
   909 2,6-DiisopropylphenolC12H18O
   910 BenzophenoneC13H10O
   911 AnthoneC14H10O
   912 1,1'-DiadamantylketoneC21H30O


ΔHf: -92.6 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 ketone
 H=-92.59 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.52859864 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.53481698 +1  111.0685445 +1    0.0000000 +0     2     1     0
  C     1.53202080 +1  110.4404189 +1  179.8341498 +1     3     2     1
  C     1.53190771 +1  111.0656993 +1  179.9850531 +1     4     3     2
  C     1.50916990 +1  110.7835884 +1  179.8828914 +1     5     4     3
  C     1.51060427 +1  115.7719181 +1  179.7047802 +1     6     5     4
  C     1.53111166 +1  110.8739440 +1  179.6258574 +1     7     6     5
  C     1.53218366 +1  111.0431093 +1 -179.9059042 +1     8     7     6
  C     1.53479981 +1  110.5261794 +1  179.9717327 +1     9     8     7
  C     1.52831278 +1  110.9544078 +1 -179.9700385 +1    10     9     8
  O     1.20430470 +1  122.1499523 +1 -179.9976246 +1     6     5     7
  H     1.09542824 +1  111.4952265 +1   60.2001091 +1     1     2     3
  H     1.09545728 +1  111.5015165 +1 -120.2152646 +1     1     2    13
  H     1.09580684 +1  111.1820287 +1 -119.8875500 +1     1     2    14
  H     1.10676581 +1  109.9208885 +1 -122.0130543 +1     2     1     3
  H     1.10684486 +1  109.9180671 +1 -116.0172425 +1     2     1    16
  H     1.10560002 +1  109.8621880 +1  121.9771832 +1     3     2     4
  H     1.10569521 +1  109.8621376 +1  116.1092418 +1     3     2    18
  H     1.10823094 +1  110.4442845 +1 -122.2152850 +1     4     3     5
  H     1.10824427 +1  110.4659242 +1 -115.6154390 +1     4     3    20
  H     1.10790030 +1  110.1748644 +1  121.9488985 +1     5     4     6
  H     1.10814614 +1  110.1431781 +1  116.2250033 +1     5     4    22
  H     1.10791364 +1  109.7871860 +1  122.1130503 +1     7     6     8
  H     1.10801690 +1  109.7988978 +1  115.8031632 +1     7     6    24
  H     1.10830978 +1  109.8521110 +1 -122.5838118 +1     8     7     9
  H     1.10831544 +1  109.8609688 +1 -114.8758331 +1     8     7    26
  H     1.10565385 +1  110.2352409 +1  121.7509869 +1     9     8    10
  H     1.10572766 +1  110.2352907 +1  116.5432586 +1     9     8    28
  H     1.10670570 +1  109.9533230 +1 -121.9852939 +1    10     9    11
  H     1.10675274 +1  109.9597873 +1 -116.0799846 +1    10     9    30
  H     1.09546715 +1  111.4900908 +1  -60.2082735 +1    11    10     9
  H     1.09549011 +1  111.4960281 +1  120.2160485 +1    11    10    32
  H     1.09586151 +1  111.1899212 +1  119.8901903 +1    11    10    33