Chemical Properties of Benzenesulfonyl chloride, 4-chloro- (CAS 98-60-2)

InChI

InChI=1S/C6H4Cl2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H

InChI Key

ZLYBFBAHAQEEQQ-UHFFFAOYSA-N

Formula

C6H4Cl2O2S

SMILES

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

Molecular Weight¹

211.07

CAS

98-60-2

Other Names

• 4-Chlorobenzenesulfonyl chloride
• 4-chlorobenzenesulphonyl chloride
• Benzenesulfonyl chloride, p-chloro-
• Chlorid kyseliny p-chlorbensulfonove
• p-Chlorbenzensulfochlorid
• p-Chlorobenzenesulfochloride
• p-Chlorobenzenesulfonyl chloride
• p-Chlorophenylsulfonyl chloride

• 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_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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[150.88; 293.08]	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			3.68500e+01
Coefficient B			4.82590e-01
Coefficient C			-2.41960e-04
Coefficient D			1.56000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	150.88	J/mol×K	273.00	Calculated Property
Cp,gas	177.99	J/mol×K	353.78	Calculated Property
Cp,gas	202.15	J/mol×K	434.56	Calculated Property
Cp,gas	223.42	J/mol×K	515.33	Calculated Property
Cp,gas	241.85	J/mol×K	596.11	Calculated Property
Cp,gas	257.49	J/mol×K	676.89	Calculated Property
Cp,gas	270.38	J/mol×K	757.67	Calculated Property
Cp,gas	280.57	J/mol×K	838.44	Calculated Property
Cp,gas	288.13	J/mol×K	919.22	Calculated Property
Cp,gas	293.08	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Benzenesulfonyl chloride, 4-chloro-.

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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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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