Chemical Properties of 4-CHLOROBENZENESULPHONIC ACID

InChI

InChI=1S/C6H5ClO3S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,(H,8,9,10)

InChI Key

RJWBTWIBUIGANW-UHFFFAOYSA-N

Formula

C6H5ClO3S

SMILES

O=S(=O)(O)c1ccc(Cl)cc1

Molecular Weight¹

192.62

Other Names

• 4-Chlorobenzenesulfonic acid
• Benzenesulfonic acid, 4-chloro-
• p-Chlorobenzenesulfonic acid

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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	[10.60; 10.60]	kJ/mol	[333.20; 333.20]
ΔfusH	10.60	kJ/mol	333.20	NIST
ΔfusH	10.60	kJ/mol	333.20	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[149.98; 303.48]	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			2.92500e+01
Coefficient B			5.09790e-01
Coefficient C			-2.51960e-04
Coefficient D			1.64000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	149.98	J/mol×K	273.00	Calculated Property
Cp,gas	178.79	J/mol×K	353.78	Calculated Property
Cp,gas	204.55	J/mol×K	434.56	Calculated Property
Cp,gas	227.29	J/mol×K	515.33	Calculated Property
Cp,gas	247.08	J/mol×K	596.11	Calculated Property
Cp,gas	263.96	J/mol×K	676.89	Calculated Property
Cp,gas	277.99	J/mol×K	757.67	Calculated Property
Cp,gas	289.22	J/mol×K	838.44	Calculated Property
Cp,gas	297.70	J/mol×K	919.22	Calculated Property
Cp,gas	303.48	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 4-CHLOROBENZENESULPHONIC ACID.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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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