Chemical Properties of Benzene, 1-methyl-4-(phenylsulfonyl)- (CAS 640-57-3)

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

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InChI
InChI=1S/C13H12O2S/c1-11-7-9-13(10-8-11)16(14,15)12-5-3-2-4-6-12/h2-10H,1H3
InChI Key
YBRXHRWLEFCFEG-UHFFFAOYSA-N
Formula
C13H12O2S
SMILES
Cc1ccc(S(=O)(=O)c2ccccc2)cc1
Molecular Weight1
232.30
CAS
640-57-3
Other Names
  • 4-Methyldiphenyl sulfone
  • Phenyl p-tolyl sulfone
  • Sulfone, phenyl p-tolyl
  • p-(phenylsulphonyl)toluene
Sources

Physical Properties

Property Value Unit Source
Δf -194.77 kJ/mol Joback Calculated Property
Δfgas -303.41 kJ/mol Joback Calculated Property
Δfus 28.50 kJ/mol Joback Calculated Property
Δvap 68.38 kJ/mol Joback Calculated Property
logPoct/wat 2.83 Crippen Calculated Property
Pc 3611.55 kPa Joback Calculated Property
Tboil 602.96 K Joback Calculated Property
Tc 837.49 K Joback Calculated Property
Tfus 395.00 ± 2.00 K NIST
Tfus 400.40 ± 1.50 K NIST
Vc 0.67 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 407.39 J/mol×K 602.96 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 3
=O 2
-CH3 1
-S- 1
=CH- (ring) 9

Similar Compounds

Benzene, 1,1'-sulfonylbis(4-methyl-). Di-(p-ethylphenyl)sulfone. Benzonitrile, 4,4'-sulfonyldi. 4,4'-Ditolyl sulfoxide. Diphenylsulfone, 4-chloro-4'-methyl-. Diphenyl sulfone. P,p'-sulfonyl dibenzoic acid. 2,4,4'-Trimethyldiphenylsulphone. Benzoic acid, sulfonyl di-p,p'-dimethyl ester. Dapsone. Benzene, 1-fluoro-4-(phenylsulfonyl)-. 4-Bromophenyl sulfone. Benzoic acid, 4-[(4-chlorophenyl)sulfonyl]-. 2,4-Dimethyldiphenylsulfone. Diphenyl sulfoxide.

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