Chemical Properties of 3-Sulfamylbenzoic acid

InChI

InChI=1S/C7H7NO4S/c8-13(11,12)6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10)(H2,8,11,12)

InChI Key

NAETXYOXMDYNLE-UHFFFAOYSA-N

Formula

C7H7NO4S

SMILES

NS(=O)(=O)c1cccc(C(=O)O)c1

Molecular Weight¹

201.20

• 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	[179.28; 374.88]	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			2.12500e+01
Coefficient B			6.76690e-01
Coefficient C			-3.71560e-04
Coefficient D			4.85000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	179.28	J/mol×K	273.00	Calculated Property
Cp,gas	216.29	J/mol×K	353.78	Calculated Property
Cp,gas	249.12	J/mol×K	434.56	Calculated Property
Cp,gas	277.93	J/mol×K	515.33	Calculated Property
Cp,gas	302.87	J/mol×K	596.11	Calculated Property
Cp,gas	324.09	J/mol×K	676.89	Calculated Property
Cp,gas	341.75	J/mol×K	757.67	Calculated Property
Cp,gas	356.00	J/mol×K	838.44	Calculated Property
Cp,gas	366.99	J/mol×K	919.22	Calculated Property
Cp,gas	374.88	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 3-Sulfamylbenzoic acid.

Sources

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

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