Chemical Properties of Methyl 2-(aminosulfonyl)benzoate (CAS 57683-71-3)

InChI

InChI=1S/C8H9NO4S/c1-13-8(10)6-4-2-3-5-7(6)14(9,11)12/h2-5H,1H3,(H2,9,11,12)

InChI Key

VSOOBQALJVLTBH-UHFFFAOYSA-N

Formula

C8H9NO4S

SMILES

COC(=O)c1ccccc1S(N)(=O)=O

Molecular Weight¹

215.23

CAS

57683-71-3

Other Names

• 2-Carbomethoxybenzene sulphonamide
• 2-Carbomethoxybenzenesulfonamide
• 2-Sulfamoylbenzoic acid methyl ester
• Benzoic acid, 2-(aminosulfonyl)-, methyl ester
• Benzoic acid, 2-sulfamoyl-, methyl ester
• methyl o-sulphamoylbenzoate

• ω : Acentric Factor.
• 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).
• 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

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[339.95; 398.15]	J/mol×K	[592.83; 811.75]
Cp,gas	339.95	J/mol×K	592.83	Joback Calculated Property
Cp,gas	351.71	J/mol×K	629.32	Joback Calculated Property
Cp,gas	362.65	J/mol×K	665.80	Joback Calculated Property
Cp,gas	372.77	J/mol×K	702.29	Joback Calculated Property
Cp,gas	382.07	J/mol×K	738.78	Joback Calculated Property
Cp,gas	390.53	J/mol×K	775.26	Joback Calculated Property
Cp,gas	398.15	J/mol×K	811.75	Joback Calculated Property

Similar Compounds

Find more compounds similar to Methyl 2-(aminosulfonyl)benzoate.

Sources

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

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