Accuracy

methyl n-butyl sulfone   2146 Methyl n-butyl sulfone

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    #  Species Formula
  2136 Sulfur dioxide (Geo)O2S
  2137 Sulfur dioxideO2S
  2138 S(OH)2H2O2S
  2139 Dimethyl sulfoneC2H6O2S
  2140 Dimethyl sulfone (Geo)C2H6O2S
  2141 Methylethyl sulfoneC3H8O2S
  2142 2,5-Dihydrothiophene sulfoneC4H6O2S
  2143 Divinyl sulfoneC4H6O2S
  2144 Diethyl sulfoneC4H10O2S
  2145 Methyl-i-propyl sulfoneC4H10O2S
  2146 Methyl n-butyl sulfone C5H12O2S
  2147 Methyl-t-butyl sulfoneC5H12O2S
  2148 Di-n-propyl sulfoneC6H14O2S
  2149 Ethyl-t-butyl sulfoneC6H14O2S
  2150 Diethoxy ethylthiomethaneC7H16O2S
  2151 Benzyl methyl sulfoneC8H10O2S
  2152 p-Tolyl methyl sulfoneC8H10O2S
  2153 Di-i-butyl sulfoneC8H18O2S
  2154 Di-n-butyl sulfoneC8H18O2S
  2155 Di-tert-butyl sulfoneC8H18O2S
  2156 Diisobutyl sulfoneC8H18O2S


ΔHf: -109.9 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
Methyl n-butyl sulfone
 H=-109.87 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  H     1.09629808 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     6.67601274 +1   97.2719536 +1    0.0000000 +0     1     2     0
  S     1.78565881 +1   32.9471349 +1  -55.0890196 +1     3     1     2
  C     1.79842122 +1  103.9649394 +1   -0.2855625 +1     4     3     1
  C     1.52996213 +1  111.2305184 +1  179.5985211 +1     5     4     3
  C     1.53691437 +1  110.4003083 +1  179.7319937 +1     6     5     4
  O     1.44722109 +1  107.5554977 +1  114.2912288 +1     4     3     5
  O     1.44725046 +1  107.5677447 +1  131.2810264 +1     4     3     8
  H     1.09631548 +1  107.4574243 +1 -100.3825152 +1     1     2     3
  H     1.09528551 +1  107.3889006 +1 -115.3229993 +1     1     2    10
  H     1.09430496 +1   94.4930687 +1  125.5792401 +1     3     1     4
  H     1.09430474 +1   94.7146535 +1  109.1066819 +1     3     1    12
  H     1.09993813 +1  143.3058444 +1  125.5380525 +1     3     1    13
  H     1.10573844 +1  110.0245958 +1  121.4934830 +1     5     4     6
  H     1.10552958 +1  110.0868806 +1  116.9108988 +1     5     4    15
  H     1.11067487 +1  110.9303460 +1  121.3554077 +1     6     5     7
  H     1.11068878 +1  110.9257083 +1  117.2907573 +1     6     5    17
  H     1.10585751 +1  110.2270286 +1  -58.6093339 +1     7     6     5
  H     1.10579804 +1  110.2299852 +1  116.7733448 +1     7     6    19