Chemical Properties of Flufenamic acid

InChI

InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20)

InChI Key

LPEPZBJOKDYZAD-UHFFFAOYSA-N

Formula

C14H10F3NO2

SMILES

O=C(O)c1ccccc1Nc1cccc(C(F)(F)F)c1

Molecular Weight¹

281.23

Other Names

• 2-((3-(Trifluoromethyl)phenyl)amino)benzoic acid
• 2-((3-Trifluromethyl)phenyl)aminobenzoic acid
• 2-[[3-(Trifluoromethyl)phenyl]amino]benzoic acid (flufenamic acid)
• 2-[[3-(trifluoromethyl)phenyl]amino]benzoic acid
• 3'-Trifluoromethyldiphenylamine-2-carboxylic acid
• ANT-1
• Achless
• Acido flufenamico
• Ansatin
• Anthranilic acid, N-(«alpha»,«alpha»,«alpha»-trifluoro-m-tolyl)-
• Arlef
• Benzoic acid, 2-[[3-(trifluoromethyl)phenyl]amino]-
• C.I. 440
• CI 440
• CN-27,554
• CN-27544
• Flufacid
• Flufenaminsaeure
• Fluore-200
• Fluphenamic acid
• Fullsafe
• INF 1837
• Lanceat
• Meralen
• N-((m-Trifluoromethyl)phenyl)-2-aminobenzoic acid
• N-(.alpha.,.alpha.,.alpha.-trifluoro-m-tolyl)anthranilic acid
• N-(3-Trifluoromethylphenyl)-anthranilic acid
• N-(«alpha»,«alpha»,«alpha»-Trifluoro-m-tolyl)anthranilic acid
• NSC 219007
• NSC-82699
• Nichisedan
• Paraflu
• Parlef
• Parlif
• Plostene
• Reumajust A
• Ristogen
• Sastridex
• Surika
• TVX 916
• Tecramine

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	36.39	kJ/mol	Joback Calculated Property
ΔsubH°	121.20 ± 0.70	kJ/mol	NIST
ΔvapH°	101.60	kJ/mol	NIST
IE	7.96	eV	Relay (1.0) Calculated Property
log10WS	[-4.62; -3.59]
log10WS	-3.59		Aq. Solubility Prediction
log10WS	-4.62		Rytting (2005)
logPoct/wat	4.147		Crippen Calculated Property
McVol	183.330	ml/mol	McGowan Calculated Property
Inp	[1932.00; 1990.00]
Inp	1990.00		NIST
Inp	1990.00		NIST
Inp	1932.00		NIST
Inp	1950.00		NIST
Inp	1950.00		NIST
Inp	1932.00		NIST
Tboil	634.02	K	Relay (1.0) Calculated Property
Tfus	404.65	K	Aq. Solubility Prediction
Ttriple	410.95	K	Solubility and Solution Thermodynamics of Flufenamic Acid Polymorphs in Two Binary Solvents

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, 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
Cp,gas	[516.71; 569.11]	J/mol×K	[773.50; 1001.63]
Cp,gas	516.71	J/mol×K	773.50	Joback Calculated Property
Cp,gas	527.43	J/mol×K	811.52	Joback Calculated Property
Cp,gas	537.22	J/mol×K	849.54	Joback Calculated Property
Cp,gas	546.20	J/mol×K	887.56	Joback Calculated Property
Cp,gas	554.44	J/mol×K	925.59	Joback Calculated Property
Cp,gas	562.05	J/mol×K	963.61	Joback Calculated Property
Cp,gas	569.11	J/mol×K	1001.63	Joback Calculated Property
ΔfusH	[26.70; 27.00]	kJ/mol	[405.00; 407.30]
ΔfusH	26.70	kJ/mol	405.00	NIST
ΔfusH	27.00	kJ/mol	407.30	NIST
ΔsubH	119.40 ± 0.70	kJ/mol	357.50	NIST

Similar Compounds

Find more compounds similar to Flufenamic acid.

Mixtures

• Acetonitrile + Water + Flufenamic acid
• 2-Propanol + Water + Flufenamic acid
• Acetonitrile + Flufenamic acid
• Water + Flufenamic acid
• 2-Propanol + Flufenamic 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
• Solubility and Solution Thermodynamics of Flufenamic Acid Polymorphs in Two Binary Solvents
• Joback Method
• Aqueous Solubility Prediction Method
• Aqueous and cosolvent solubility data for drug-like organic compounds
• 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.
These property values are available through the Cheméo API. A free account gives you an access key.