Chemical Properties of P-chlorophenyl-p-toluenesulfonate (CAS 599-89-3)

P-chlorophenyl-p-toluenesulfonate

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InChI
InChI=1S/C13H11ClO3S/c1-10-2-8-13(9-3-10)18(15,16)17-12-6-4-11(14)5-7-12/h2-9H,1H3
InChI Key
PPRVVAPBLOBOSE-UHFFFAOYSA-N
Formula
C13H11ClO3S
SMILES
Cc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2)cc1
Molecular Weight1
282.74
CAS
599-89-3
Sources

Physical Properties

Property Value Unit Source
Δf -321.33 kJ/mol Joback Calculated Property
Δfgas -462.84 kJ/mol Joback Calculated Property
Δfus 33.49 kJ/mol Joback Calculated Property
Δvap 75.84 kJ/mol Joback Calculated Property
logPoct/wat 3.42 Crippen Calculated Property
Pc 3329.68 kPa Joback Calculated Property
Tboil 667.79 K Joback Calculated Property
Tc 902.87 K Joback Calculated Property
Tfus 404.86 K Joback Calculated Property
Vc 0.74 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 458.18 J/mol×K 667.79 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

4-Chlorophenylbenzenesulfonate. Benzenesulfonic acid, 4-chloro-, 4-chlorophenyl ester. Phenyl p-chloro-benzene sulfonate. 2,4-Dichlorophenylbenzene sulfonate. 3,4-Dichlorophenyl-4-chlorobenzene sulfonate. 4-Tert-butylphenyl benzene sulfonate. 2,4-Dichloro-1-naphthyl 4-chlorobenzenesulfonate. P-toluene sulfonic acid monohydrate. P-toluene sulfonic acid. P-toluenesulfonic acid, potassium salt. Noname. 3-Amino-p-toluene sulfonic acid. Benzenesulfonic acid, 4-methyl-, methyl ester. Benzenesulfonic acid, 4-methyl-, ethyl ester. Ethanol, 2-chloro-, 4-methylbenzenesulfonate.

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