Chemical Properties of 4-Tert-butylphenyl benzene sulfonate (CAS 160788-98-7)

4-Tert-butylphenyl benzene sulfonate

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InChI
InChI=1S/C16H18O3S/c1-16(2,3)13-9-11-14(12-10-13)19-20(17,18)15-7-5-4-6-8-15/h4-12H,1-3H3
InChI Key
GLHUQIUKLSAEEK-UHFFFAOYSA-N
Formula
C16H18O3S
SMILES
CC(C)(C)c1ccc(OS(=O)(=O)c2ccccc2)cc1
Molecular Weight1
290.38
CAS
160788-98-7
Sources

Physical Properties

Property Value Unit Source
Δf -271.67 kJ/mol Joback Calculated Property
Δfgas -506.30 kJ/mol Joback Calculated Property
Δfus 30.04 kJ/mol Joback Calculated Property
Δvap 76.17 kJ/mol Joback Calculated Property
logPoct/wat 3.75 Crippen Calculated Property
Pc 2629.85 kPa Joback Calculated Property
Tboil 690.79 K Joback Calculated Property
Tc 921.71 K Joback Calculated Property
Tfus 398.65 K Joback Calculated Property
Vc 0.85 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 591.10 J/mol×K 690.79 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

P-chlorophenyl-p-toluenesulfonate. 4-Chlorophenylbenzenesulfonate. Phenyl p-chloro-benzene sulfonate. Benzenesulfonic acid, 4-chloro-, 4-chlorophenyl ester. 2,4-Dichlorophenylbenzene sulfonate. 3,4-Dichlorophenyl-4-chlorobenzene sulfonate. 2,4-Dichloro-1-naphthyl 4-chlorobenzenesulfonate. 5-Tert-butyl-2-hydroxylbenzene sulfonic acid, sodium salt. 6-Thymolsulfonic acid. Benzenesulphonic acid, 4-(5-decyl)-, methyl ester. Benzenesulphonic acid, 4-(5-undecyl)-, methyl ester. Benzenesulphonic acid, 4-(7-tridecyl)-, methyl ester. Benzenesulphonic acid, 4-(3-undecyl)-, methyl ester. Benzenesulphonic acid, 4-(4-undecyl)-, methyl ester. Benzenesulphonic acid, 4-(3-dodecyl)-, methyl ester.

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