Chemical Properties of Mefenamic Acid (CAS 61-68-7)

InChI

InChI=1S/C15H15NO2/c1-10-6-5-9-13(11(10)2)16-14-8-4-3-7-12(14)15(17)18/h3-9,16H,1-2H3,(H,17,18)

InChI Key

HYYBABOKPJLUIN-UHFFFAOYSA-N

Formula

C15H15NO2

SMILES

Cc1cccc(Nc2ccccc2C(=O)O)c1C

Molecular Weight¹

241.29

CAS

61-68-7

Other Names

• 2-((2,3-dimethylphenyl)amino)benzoic acid
• 2-Diphenylaminecarboxylic acid, 2',3'-dimethyl-
• 2-[(2,3-Dimethylphenyl)amino]benzoic acid (mefenamic acid)
• AGN-1255
• Acide mefenamique
• Anthranilic acid, N-2,3-xylyl-
• Bafameritin-M
• Bafhameritin-M
• Benzoic acid, 2-[(2,3-dimethylphenyl)amino]-
• Bonabol
• CL 473
• CN-35355
• Coslan
• HL 1
• INF 3355
• In-M
• Lysalgo
• Mefacit
• Mefanamic acid
• Mefenacid
• Mefenaminsaeure
• Mephenamic acid
• Mephenaminic acid
• Methenamic acid
• N-(2,3-Dimethylphenyl)anthranilic acid
• N-(2,3-Xylyl)-2-aminobenzoic acid
• N-(2,3-Xylyl)anthranilic acid
• NSC 94437
• Namphen
• Parkemed
• Ponalar
• Ponstan
• Ponstan forte
• Ponstel
• Ponstil
• Ponstyl
• Pontal
• Tamany Bonsan
• Tanston
• Vialidon

• 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_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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.8295		Relay (1.0) Calculated Property
ΔfG°	16.83	kJ/mol	Joback Calculated Property
ΔfH°gas	-262.16	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	36.76	kJ/mol	Joback Calculated Property
ΔsubH°	136.30 ± 0.80	kJ/mol	NIST
ΔvapH°	116.49	kJ/mol	Relay (1.0) Calculated Property
IE	7.29	eV	Relay (1.0) Calculated Property
log10WS	-3.38		Aq. Solubility Prediction
logPoct/wat	3.745		Crippen Calculated Property
McVol	192.110	ml/mol	McGowan Calculated Property
Pc	2659.77	kPa	Joback Calculated Property
Inp	[2201.00; 2201.00]
Inp	2201.00		NIST
Inp	2201.00		NIST
Tboil	639.72	K	Relay (1.0) Calculated Property
Tc	979.02	K	Relay (1.0) Calculated Property
Tfus	[503.10; 503.65]	K
Tfus	503.10	K	Solubility and pKa of select pharmaceuticals in water, ethanol, and 1-octanol
Tfus	503.65	K	Aq. Solubility Prediction

Cheméo can also estimate Critical Volume 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
ΔfusH	[38.20; 38.70]	kJ/mol	[503.50; 503.60]
ΔfusH	38.70	kJ/mol	503.50	NIST
ΔfusH	38.25	kJ/mol	503.60	NIST
ΔfusH	38.20	kJ/mol	503.60	NIST
ΔsubH	132.70 ± 0.80	kJ/mol	377.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[246.63; 594.69]	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			-3.22700e+01
Coefficient B			1.21954e+00
Coefficient C			-7.74680e-04
Coefficient D			1.82100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	246.63	J/mol×K	273.00	Calculated Property
Cp,gas	310.28	J/mol×K	353.78	Calculated Property
Cp,gas	366.34	J/mol×K	434.56	Calculated Property
Cp,gas	415.39	J/mol×K	515.33	Calculated Property
Cp,gas	458.00	J/mol×K	596.11	Calculated Property
Cp,gas	494.76	J/mol×K	676.89	Calculated Property
Cp,gas	526.23	J/mol×K	757.67	Calculated Property
Cp,gas	552.99	J/mol×K	838.44	Calculated Property
Cp,gas	575.62	J/mol×K	919.22	Calculated Property
Cp,gas	594.69	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Mefenamic Acid.

Mixtures

• Ethanol + Mefenamic Acid
• 1-Octanol + Mefenamic Acid
• Carbon dioxide + Mefenamic Acid
• Water + Mefenamic Acid
• Formamide, N,N-dimethyl- + Mefenamic Acid
• Acetone + Mefenamic Acid
• 2-Propanol + Mefenamic Acid
• N,N-Dimethylacetamide + Mefenamic Acid
• Ethyl Acetate + Mefenamic Acid
• n-Hexane + Mefenamic Acid
• Heptane + Mefenamic Acid
• Cyclohexane + Mefenamic Acid

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Measurement and modeling of mefenamic acid solubility in supercritical carbon dioxide
• Solubility and pKa of select pharmaceuticals in water, ethanol, and 1-octanol
• Thermodynamic Study of Solubility for Imatinib Mesylate in Nine Monosolvents and Two Binary Solvent Mixtures from 278.15 to 318.15 K
• Solubility and Dissolution Thermodynamic Data of Mefenamic Acid Crystals in Different Classes of Organic Solvents
• Joback Method
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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