Chemical Properties of Benzenesulfonamide, 4-chloro- (CAS 98-64-6)

InChI

InChI=1S/C6H6ClNO2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,(H2,8,9,10)

InChI Key

HHHDJHHNEURCNV-UHFFFAOYSA-N

Formula

C6H6ClNO2S

SMILES

NS(=O)(=O)c1ccc(Cl)cc1

Molecular Weight¹

191.63

CAS

98-64-6

Other Names

• 4-Chlorobenzenesulfonamide
• 4-Chlorophenylsulfonamide
• 4-chlorobenzenesulphonamide
• ADD 55051
• Benzenesulfonamide, p-chloro-
• NSC 403674
• USAF MA-3
• p-Chlorobenzenesulfamide
• p-Chlorobenzenesulfonamide
• p-Chlorophenylsulfonamide

• 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	[157.85; 320.78]	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			3.04500e+01
Coefficient B			5.37690e-01
Coefficient C			-2.64960e-04
Coefficient D			1.76000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	157.85	J/mol×K	273.00	Calculated Property
Cp,gas	188.29	J/mol×K	353.78	Calculated Property
Cp,gas	215.52	J/mol×K	434.56	Calculated Property
Cp,gas	239.58	J/mol×K	515.33	Calculated Property
Cp,gas	260.55	J/mol×K	596.11	Calculated Property
Cp,gas	278.47	J/mol×K	676.89	Calculated Property
Cp,gas	293.39	J/mol×K	757.67	Calculated Property
Cp,gas	305.38	J/mol×K	838.44	Calculated Property
Cp,gas	314.49	J/mol×K	919.22	Calculated Property
Cp,gas	320.78	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Benzenesulfonamide, 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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