Chemical Properties of Tolfenamic acid (CAS 13710-19-5)

InChI

InChI=1S/C14H12ClNO2/c1-9-11(15)6-4-8-12(9)16-13-7-3-2-5-10(13)14(17)18/h2-8,16H,1H3,(H,17,18)

InChI Key

YEZNLOUZAIOMLT-UHFFFAOYSA-N

Formula

C14H12ClNO2

SMILES

Cc1c(Cl)cccc1Nc1ccccc1C(=O)O

Molecular Weight¹

261.70

CAS

13710-19-5

Other Names

• 2-[(3-Chloro-2-methylphenyl)amino]benzoic acid (tolfenamic acid)
• 2-[(3-chloro-2-methylphenyl)amino]benzoic acid
• Anthranilic acid, N-(3-chloro-o-tolyl)-
• Benzoic acid, 2-[(3-chloro-2-methylphenyl)amino]-
• Clotam
• GEA 6414
• N-(2-Methyl-3-chlorophenyl)anthranilic acid
• N-(3-Chloro-2-methylphenyl)anthranilic acid
• N-(3-Chloro-o-tolyl)-anthranilic acid
• Tolfedine
• Tolfine

• 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_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (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_c : Critical 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 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔfusH	[38.60; 41.20]	kJ/mol	[484.30; 485.30]
ΔfusH	38.60	kJ/mol	484.30	NIST
ΔfusH	41.20	kJ/mol	485.30	NIST
ΔsubH	125.70 ± 0.80	kJ/mol	359.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[238.82; 551.37]	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			-1.84700e+01
Coefficient B			1.13132e+00
Coefficient C			-7.40680e-04
Coefficient D			1.79200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	238.82	J/mol×K	273.00	Calculated Property
Cp,gas	297.00	J/mol×K	353.78	Calculated Property
Cp,gas	347.99	J/mol×K	434.56	Calculated Property
Cp,gas	392.36	J/mol×K	515.33	Calculated Property
Cp,gas	430.68	J/mol×K	596.11	Calculated Property
Cp,gas	463.52	J/mol×K	676.89	Calculated Property
Cp,gas	491.44	J/mol×K	757.67	Calculated Property
Cp,gas	515.01	J/mol×K	838.44	Calculated Property
Cp,gas	534.80	J/mol×K	919.22	Calculated Property
Cp,gas	551.37	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Tolfenamic acid.

Mixtures

• Carbon dioxide + Tolfenamic acid

Sources

• 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
• Determination, correlation and prediction of the solubilities of niflumic acid, clofenamic acid and tolfenamic acid in supercritical CO2
• Joback Method
• McGowan Method
• NIST Webbook

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