Chemical Properties of Benzenesulfonic acid, 4-chlorophenyl ester (CAS 80-38-6)

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

• Benzenesulfonic acid, p-chlorophenyl ester
• p-Chlorophenyl benzenesulfonate
• p-Chlorophenyl benzenesulphonate
• Aracid
• CPBS
• Fenson
• Fensone
• Murvesco
• PCBS
• PCI
• PCPBS
• 4-Chlorophenyl benzenesulfonate
• 4-Chlorophenyl benzenesulphonate
• 928
• (4-Chloor-fenyl)-benzeen-sulfonaat
• (4-Chlor-phenyl)-benzolsulfonat
• (4-Cloro-fenil)-benzol-solfonato
• p-Chlorofenylester kyseliny benzensulfonove
• Ent 4,585
• Fenizon
• GC-928
• Benzenesulfonate de 4-chlorophenyle
• NSC 406662
• Ovicide Seppic
• Phenizon

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[409.44; 475.80]	J/mol×K	[639.93; 879.02]
Cp,gas	409.44	J/mol×K	639.93	Joback Calculated Property
Cp,gas	423.37	J/mol×K	679.78	Joback Calculated Property
Cp,gas	436.13	J/mol×K	719.63	Joback Calculated Property
Cp,gas	447.73	J/mol×K	759.48	Joback Calculated Property
Cp,gas	458.20	J/mol×K	799.32	Joback Calculated Property
Cp,gas	467.55	J/mol×K	839.17	Joback Calculated Property
Cp,gas	475.80	J/mol×K	879.02	Joback Calculated Property
ΔfusH	[21.44; 21.44]	kJ/mol	[332.20; 332.20]
ΔfusH	21.44	kJ/mol	332.20	NIST
ΔfusH	21.44	kJ/mol	332.20	NIST

Similar Compounds

Find more compounds similar to Benzenesulfonic acid, 4-chlorophenyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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