Accuracy

methyl-i-propyl sulfone   2145 Methyl-i-propyl sulfone

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    #  Species Formula
  2135 Bis-diethylamine sulfoxideC8H20N2OS
  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 sulfone C4H10O2S
  2146 Methyl n-butyl sulfoneC5H12O2S
  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


ΔHf: -103.6 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
Methyl-i-propyl sulfone
 H=-103.6 HR=NIST
  H     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.11670253 +1    0.0000000 +0    0.0000000 +0     1     0     0
  S     1.81750803 +1  108.1886098 +1    0.0000000 +0     2     1     0
  C     1.78814248 +1  105.3093526 +1   57.8302344 +1     3     2     1
  H     1.09526641 +1  111.9010696 +1   76.2137963 +1     4     3     2
  H     2.19966371 +1   92.3423593 +1   99.3083642 +1     2     1     3
  O     1.44797332 +1  108.6688286 +1  114.8585610 +1     3     2     4
  O     1.44892322 +1  106.6758192 +1  131.5255464 +1     3     2     7
  H     1.77564402 +1   65.9122575 +1  162.1818871 +1     6     2     1
  H     1.75962182 +1   59.6776917 +1  -74.6419001 +1     9     6     2
  H     2.19433077 +1   93.5582815 +1  166.1800853 +1     2     1     6
  C     1.09885705 +1   37.0104729 +1   38.4927986 +1    10     9     6
  C     1.10108019 +1   40.1033135 +1 -124.1993143 +1    11     2     1
  H     1.09288516 +1  112.7611180 +1 -122.7792361 +1     4     3     5
  H     1.09967869 +1  110.1898340 +1 -118.8566332 +1     4     3    14
  H     1.10020182 +1  107.2947961 +1 -123.8041722 +1    13    11     2
  H     1.09719141 +1  106.8136322 +1 -114.2358540 +1    13    11    16