Chemical Properties of Benzene, 1,1'-sulfonylbis(4-methyl-) (CAS 599-66-6)

Benzene, 1,1'-sulfonylbis(4-methyl-)

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InChI
InChI=1S/C14H14O2S/c1-11-3-7-13(8-4-11)17(15,16)14-9-5-12(2)6-10-14/h3-10H,1-2H3
InChI Key
WEAYCYAIVOIUMG-UHFFFAOYSA-N
Formula
C14H14O2S
SMILES
Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1
Molecular Weight1
246.32
CAS
599-66-6
Other Names
  • 4,4'-Dimethyldiphenylsulfone
  • 4,4'-Ditolyl sulfone
  • Benzene, 1,1'-sulfonylbis(4-methyl-
  • Benzene, 1,1'-sulfonylbis(4-methyl-)
  • Bis(4-methylphenyl) sulfone
  • Bis(p-tolyl) sulfone
  • NSC 208
  • Sulfone, di-p-tolyl
  • di-p-tolyl sulphone
  • p,p'-Ditolyl sulfone
  • p-Tolyl sulfone
Sources

Physical Properties

Property Value Unit Source
Δcsolid -7800.65 ± 0.50 kJ/mol NIST
Δf -195.98 kJ/mol Joback Calculated Property
Δfgas -202.00 ± 3.00 kJ/mol NIST
Δfsolid -311.40 ± 0.80 kJ/mol NIST
Δfus 30.70 kJ/mol Joback Calculated Property
Δsub 110.00 ± 2.00 kJ/mol NIST
Δvap 71.27 kJ/mol Joback Calculated Property
IE 8.66 ± 0.04 eV NIST
logPoct/wat 3.14 Crippen Calculated Property
Pc 3173.97 kPa Joback Calculated Property
Tboil 630.82 K Joback Calculated Property
Tc 861.63 K Joback Calculated Property
Tfus 421.90 ± 1.50 K NIST
Tfus 429.00 ± 3.00 K NIST
Vc 0.73 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 456.66 J/mol×K 630.82 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 4
-S- 1
-CH3 2
=O 2
=CH- (ring) 8

Similar Compounds

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