Chemical Properties of Benzenesulfonic acid, 4-chlorophenyl ester

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

C12H9ClO3S

SMILES

O=S(=O)(Oc1ccc(Cl)cc1)c1ccccc1

Molecular Weight¹

268.72

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_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[222.91; 494.33]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			1.01000e+01
Coefficient B			9.03690e-01
Coefficient C			-4.68160e-04
Coefficient D			4.87000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	222.91	J/mol×K	273.00	Calculated Property
Cp,gas	273.37	J/mol×K	353.78	Calculated Property
Cp,gas	318.39	J/mol×K	434.56	Calculated Property
Cp,gas	358.14	J/mol×K	515.33	Calculated Property
Cp,gas	392.76	J/mol×K	596.11	Calculated Property
Cp,gas	422.40	J/mol×K	676.89	Calculated Property
Cp,gas	447.23	J/mol×K	757.67	Calculated Property
Cp,gas	467.39	J/mol×K	838.44	Calculated Property
Cp,gas	483.04	J/mol×K	919.22	Calculated Property
Cp,gas	494.33	J/mol×K	1000.00	Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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