Chemical Properties of Benzene, 1-methyl-4-(methylsulfonyl)- (CAS 3185-99-7)

Benzene, 1-methyl-4-(methylsulfonyl)-

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InChI
InChI=1S/C8H10O2S/c1-7-3-5-8(6-4-7)11(2,9)10/h3-6H,1-2H3
InChI Key
YYDNBUBMBZRNQQ-UHFFFAOYSA-N
Formula
C8H10O2S
SMILES
Cc1ccc(S(C)(=O)=O)cc1
Molecular Weight1
170.23
CAS
3185-99-7
Other Names
  • (p-Tolylsulfonyl)methane
  • 1-Methansulfonyl-4-methylbenzene
  • 1-Methyl-4-(methyl-sulphonyl)benzene
  • Methyl 4-tolyl sulfone
  • Methyl p-tolyl sulfone
  • Methyl p-tolyl sulphone
  • NSC 2722
  • NSC 29038
  • Sulfone, methyl p-tolyl
  • p-(methylsulphonyl)toluene
  • p-Tolyl methyl sulfone
Sources

Physical Properties

Property Value Unit Source
Δcliquid -4806.45 ± 0.54 kJ/mol NIST
Δf -349.28 kJ/mol Joback Calculated Property
Δfgas -273.10 ± 3.40 kJ/mol NIST
Δfliquid -373.10 ± 0.79 kJ/mol NIST
Δfus 21.51 kJ/mol Joback Calculated Property
Δvap 90.00 ± 2.00 kJ/mol NIST
logPoct/wat 1.40 Crippen Calculated Property
Pc 4356.87 kPa Joback Calculated Property
Tboil 461.88 K Joback Calculated Property
Tc 666.86 K Joback Calculated Property
Tfus 257.42 K Joback Calculated Property
Vc 0.50 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 249.63 J/mol×K 461.88 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 2
-S- 1
-CH3 2
=O 2
=CH- (ring) 4

Similar Compounds

4-(CH3SO2)-C6H4-CN. P-methylsulfonylbenzyl chloride. Methyl 4-methylphenylsulfoxide. Benzene, 1-(ethenylsulfonyl)-4-methyl-. 1-Methyl-4-(2-propynyl-sulphonyl)benzene. (E)-1-Methyl-4-(1-propenyl-sulphonyl)-benzene. 1-Methyl-4-(1-propynyl-sulphonyl)benzene. P-toluenesulfonylacetonitrile. Sulfone, methyl phenyl. p-Tolyl propadienyl sulphone. 2-Butenyl p-tolyl sulphone. But-1-enyl-p-tolyl sulphone. 1-Methyl-4-(2-methyl-1-propenylsulphonyl)-benzene. 3-Butenyl p-tolyl sulphone. 1-Methyl-4-(1-methyl-ethnenylsulphonyl)benzene.

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