Chemical Properties of Tolfenamic acid, methyl ester (CAS 31376-49-5)

InChI

InChI=1S/C15H14ClNO2/c1-10-12(16)7-5-9-13(10)17-14-8-4-3-6-11(14)15(18)19-2/h3-9,17H,1-2H3

InChI Key

CNIPMLJEWLMTCO-UHFFFAOYSA-N

Formula

C15H14ClNO2

SMILES

COC(=O)c1ccccc1Nc1cccc(Cl)c1C

Molecular Weight¹

275.73

CAS

31376-49-5

Other Names

• Methyl 2-(3-chloro-2-methylanilino)benzoate
• Tolfenamic acid, methyl deriv.
• Benzoic acid, 2-[(3-chloro-2-methylphenyl)amino]-, methyl ester

• 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).
• I_np : Non-polar retention indices.
• 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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[539.34; 602.51]	J/mol×K	[774.79; 1014.61]
Cp,gas	539.34	J/mol×K	774.79	Joback Calculated Property
Cp,gas	552.54	J/mol×K	814.76	Joback Calculated Property
Cp,gas	564.62	J/mol×K	854.73	Joback Calculated Property
Cp,gas	575.62	J/mol×K	894.70	Joback Calculated Property
Cp,gas	585.57	J/mol×K	934.67	Joback Calculated Property
Cp,gas	594.52	J/mol×K	974.64	Joback Calculated Property
Cp,gas	602.51	J/mol×K	1014.61	Joback Calculated Property

Similar Compounds

Find more compounds similar to Tolfenamic acid, methyl ester.

Sources

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

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