Chemical Properties of Benzoic acid, 4-methylsulfonylamino- (CAS 7151-76-0)

InChI

InChI=1S/C8H9NO4S/c1-14(12,13)9-7-4-2-6(3-5-7)8(10)11/h2-5,9H,1H3,(H,10,11)

InChI Key

SROHFTOYGFCJAF-UHFFFAOYSA-N

Formula

C8H9NO4S

SMILES

CS(=O)(=O)Nc1ccc(C(=O)O)cc1

Molecular Weight¹

215.23

CAS

7151-76-0

• ω : Acentric Factor.
• 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_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).
• 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[196.31; 427.39]	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			1.26400e+01
Coefficient B			7.86010e-01
Coefficient C			-4.31160e-04
Coefficient D			5.99000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	196.31	J/mol×K	273.00	Calculated Property
Cp,gas	239.40	J/mol×K	353.78	Calculated Property
Cp,gas	277.70	J/mol×K	434.56	Calculated Property
Cp,gas	311.39	J/mol×K	515.33	Calculated Property
Cp,gas	340.67	J/mol×K	596.11	Calculated Property
Cp,gas	365.71	J/mol×K	676.89	Calculated Property
Cp,gas	386.72	J/mol×K	757.67	Calculated Property
Cp,gas	403.87	J/mol×K	838.44	Calculated Property
Cp,gas	417.37	J/mol×K	919.22	Calculated Property
Cp,gas	427.39	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Benzoic acid, 4-methylsulfonylamino-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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