Chemical Properties of Benzoic acid, 4-[(4-chlorophenyl)sulfonyl]- (CAS 37940-65-1)

Benzoic acid, 4-[(4-chlorophenyl)sulfonyl]-

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InChI
InChI=1S/C13H9ClO4S/c14-10-3-7-12(8-4-10)19(17,18)11-5-1-9(2-6-11)13(15)16/h1-8H,(H,15,16)
InChI Key
MIVYLPYNSKNBPW-UHFFFAOYSA-N
Formula
C13H9ClO4S
SMILES
O=C(O)c1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1
Molecular Weight1
296.73
CAS
37940-65-1
Other Names
  • 4-Chloro-4'-carboxydiphenyl sulfone
Sources

Physical Properties

Property Value Unit Source
Δf -482.07 kJ/mol Joback Calculated Property
Δfgas -595.43 kJ/mol Joback Calculated Property
Δfus 37.99 kJ/mol Joback Calculated Property
Δvap 96.85 kJ/mol Joback Calculated Property
logPoct/wat 2.87 Crippen Calculated Property
Pc 4103.88 kPa Joback Calculated Property
Tboil 791.42 K Joback Calculated Property
Tc 1017.05 K Joback Calculated Property
Tfus 493.38 K Joback Calculated Property
Vc 0.75 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 491.77 J/mol×K 791.42 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-Cl 1
=CH- (ring) 8
-OH (alcohol) 1
=C< (ring) 4
-S- 1
=O 2
>C=O (nonring) 1

Similar Compounds

P,p'-sulfonyl dibenzoic acid. Benzoic acid, sulfonyl di-p,p'-dimethyl ester. Diphenylsulfone, 4-chloro-4'-methyl-. Sulfonyl bis(p,p'-benzoic acid) 5-hydroxy pentyl ester. M,p'-sulfonyl dibenzoic acid. Benzene, 1-methyl-4-(phenylsulfonyl)-. Benzene, 1,1'-sulfonylbis(4-methyl-). Di-(p-ethylphenyl)sulfone. Benzonitrile, 4,4'-sulfonyldi. Bis-(3-phthalyl anhydride) sulfone. Bis(p-chlorophenyl)sulfoxide. 4-CH3SO2-C6H4-COOCH3. P-sulfamoylbenzoic acid. 4,4'-Ditolyl sulfoxide. 2,4,4'-Trimethyldiphenylsulphone.

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