Chemical Properties of Benzoic acid, sulfonyl di-p,p'-dimethyl ester (CAS 3965-53-5)

Benzoic acid, sulfonyl di-p,p'-dimethyl ester

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InChI
InChI=1S/C16H14O6S/c1-21-15(17)11-3-7-13(8-4-11)23(19,20)14-9-5-12(6-10-14)16(18)22-2/h3-10H,1-2H3
InChI Key
YQYRQRUZQNRJIW-UHFFFAOYSA-N
Formula
C16H14O6S
SMILES
COC(=O)c1ccc(S(=O)(=O)c2ccc(C(=O)OC)cc2)cc1
Molecular Weight1
334.34
CAS
3965-53-5
Other Names
  • 4,4'-Sulfonylbis(methyl benzoate)
  • Benzoic acid, 4,4'-sulfonyldi-, dimethyl ester
  • Benzoic acid, sulfonyl di-p,p'-dimethyl ester
  • Dimethyl 4,4'-sulfonyldibenzoate
  • dimethyl 4,4'-sulphonyldibenzoate
Sources

Physical Properties

Property Value Unit Source
Δf -646.98 kJ/mol Joback Calculated Property
Δfgas -866.40 kJ/mol Joback Calculated Property
Δfus 41.45 kJ/mol Joback Calculated Property
Δvap 94.03 kJ/mol Joback Calculated Property
logPoct/wat 2.09 Crippen Calculated Property
Pc 2844.44 kPa Joback Calculated Property
Tboil 829.16 K Joback Calculated Property
Tc 1057.74 K Joback Calculated Property
Tfus 530.84 K Joback Calculated Property
Vc 0.89 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 643.40 J/mol×K 829.16 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

P,p'-sulfonyl dibenzoic acid. Sulfonyl bis(p,p'-benzoic acid) 5-hydroxy pentyl ester. Benzoic acid, 4-[(4-chlorophenyl)sulfonyl]-. M,p'-sulfonyl dibenzoic acid. Benzene, 1-methyl-4-(phenylsulfonyl)-. Benzene, 1,1'-sulfonylbis(4-methyl-). 4-SO2F-C6H4-COOCH3. 4-CH3SO2-C6H4-COOCH3. Di-(p-ethylphenyl)sulfone. Benzonitrile, 4,4'-sulfonyldi. Diphenylsulfone, 4-chloro-4'-methyl-. Bis-(3-phthalyl anhydride) sulfone. P-sulfamoylbenzoic acid. 4,4'-Ditolyl sulfoxide. 2,4,4'-Trimethyldiphenylsulphone.

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