Chemical Properties of Flufenamic acid (CAS 530-78-9)

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

CAS

530-78-9

Other Names

• 2-((3-(Trifluoromethyl)phenyl)amino)benzoic acid
• 2-((3-Trifluromethyl)phenyl)aminobenzoic acid
• 2-[[3-(Trifluoromethyl)phenyl]amino]benzoic acid (flufenamic 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-(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_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).
• 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

Property	Value	Unit	Source
ΔfG°	-485.38	kJ/mol	Joback Calculated Property
ΔfH°gas	-690.59	kJ/mol	Joback Calculated Property
ΔfusH°	31.93	kJ/mol	Joback Calculated Property
ΔsubH°	121.20 ± 0.70	kJ/mol	NIST
ΔvapH°	101.60	kJ/mol	NIST
log10WS	[-4.62; -3.59]
log10WS	-3.59		Aq. Sol...
log10WS	-4.62		Rytting...
logPoct/wat	4.147		Crippen Calculated Property
McVol	183.330	ml/mol	McGowan Calculated Property
Pc	2835.36	kPa	Joback Calculated Property
Inp	[1932.00; 1990.00]
Inp	1990.00		NIST
Inp	1932.00		NIST
Inp	1950.00		NIST
Inp	1990.00		NIST
Inp	1950.00		NIST
Inp	1932.00		NIST
Tboil	773.84	K	Joback Calculated Property
Tc	985.67	K	Joback Calculated Property
Tfus	404.65	K	Aq. Sol...
Vc	0.707	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[514.04; 563.18]	J/mol×K	[773.84; 985.67]
T(K) Ideal gas heat capacity (J/mol×K) 510 520 530 540 550 560 800 850 900 950
Cp,gas	514.04	J/mol×K	773.84	Joback Calculated Property
Cp,gas	524.03	J/mol×K	809.15	Joback Calculated Property
Cp,gas	533.21	J/mol×K	844.45	Joback Calculated Property
Cp,gas	541.64	J/mol×K	879.76	Joback Calculated Property
Cp,gas	549.41	J/mol×K	915.06	Joback Calculated Property
Cp,gas	556.56	J/mol×K	950.37	Joback Calculated Property
Cp,gas	563.18	J/mol×K	985.67	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.

Sources

• Crippen Method
• Joback Method
• Aqueous Solubility Prediction Method
• Aqueous and cosolvent solubility data for drug-like organic compounds
• McGowan Method
• NIST Webbook

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