Chemical Properties of 4-Chlorophenylbenzenesulfonate (CAS 80-38-6)

4-Chlorophenylbenzenesulfonate

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InChI
InChI=1S/C12H9ClO3S/c13-10-6-8-11(9-7-10)16-17(14,15)12-4-2-1-3-5-12/h1-9H
InChI Key
SPJOZZSIXXJYBT-UHFFFAOYSA-N
Formula
C12H9ClO2S
SMILES
O=S(=O)(Oc1ccc(Cl)cc1)c1ccccc1
Molecular Weight1
252.72
CAS
80-38-6
Other Names
  • (4-Chloor-fenyl)-benzeen-sulfonaat
  • (4-Chlor-phenyl)-benzolsulfonat
  • (4-Cloro-fenil)-benzol-solfonato
  • 4-Chlorophenyl benzenesulfonate
  • 4-Chlorophenyl benzenesulphonate
  • 928
  • Aracid
  • Benzenesulfonate de 4-chlorophenyle
  • Benzenesulfonic acid, p-chlorophenyl ester
  • CPBS
  • Ent 4,585
  • Fenizon
  • Fenson
  • Fensone
  • GC-928
  • Murvesco
  • NSC 406662
  • Ovicide Seppic
  • PCBS
  • PCI
  • PCPBS
  • Phenizon
  • p-Chlorofenylester kyseliny benzensulfonove
  • p-Chlorophenyl benzenesulfonate
  • p-Chlorophenyl benzenesulphonate
Sources

Physical Properties

Property Value Unit Source
Δf -320.12 kJ/mol Joback Calculated Property
Δfgas -430.73 kJ/mol Joback Calculated Property
Δfus 31.29 kJ/mol Joback Calculated Property
Δvap 72.95 kJ/mol Joback Calculated Property
logPoct/wat 3.11 Crippen Calculated Property
Pc 3801.00 kPa Joback Calculated Property
Tboil 639.93 K Joback Calculated Property
Tc 879.02 K Joback Calculated Property
Tfus 332.42 ± 0.20 K NIST
Vc 0.68 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 409.44 J/mol×K 639.93 Joback Calculated Property
ΔfusH 21.44 kJ/mol 332.2 NIST
ΔfusH 21.44 kJ/mol 332.2 NIST

Molecular Descriptors

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

Similar Compounds

Benzenesulfonic acid, 4-chloro-, 4-chlorophenyl ester. Phenyl p-chloro-benzene sulfonate. P-chlorophenyl-p-toluenesulfonate. 3,4-Dichlorophenyl-4-chlorobenzene sulfonate. 2,4-Dichlorophenylbenzene sulfonate. 4-Tert-butylphenyl benzene sulfonate. 2,4-Dichloro-1-naphthyl 4-chlorobenzenesulfonate. 4-Chlorobenzenesulfonic acid. Noname. Benzenesulfonic acid, 4-hydroxy-. Benzenesulfonic acid, p-chloro-,sodium salt. Sodium 5-chloro-2-hydroxy-benzenesulfonate. 4,6-Dichloro-1-phenol-2-sulfonic acid, sodium salt. BENZENESULFONIC ACID. Noname.

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