Chemical Properties of Flufenamic acid, methyl ester

InChI

InChI=1S/C15H12F3NO2/c1-21-14(20)12-7-2-3-8-13(12)19-11-6-4-5-10(9-11)15(16,17)18/h2-9,19H,1H3

InChI Key

CACWGKXXWFHZRW-UHFFFAOYSA-N

Formula

C15H12F3NO2

SMILES

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

Molecular Weight¹

295.26

Other Names

• Methyl 2-pyrrol[3-(trifluoromethyl)phenyl]aminomorphobenzoate
• Flufenamic acid, methyl deriv.

• 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).
• 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°	-445.14	kJ/mol	Joback Calculated Property
ΔfH°gas	-691.22	kJ/mol	Joback Calculated Property
ΔfusH°	31.62	kJ/mol	Joback Calculated Property
ΔvapH°	66.70	kJ/mol	Joback Calculated Property
log10WS	-4.62		Crippen Calculated Property
logPoct/wat	4.236		Crippen Calculated Property
McVol	197.420	ml/mol	McGowan Calculated Property
Pc	2304.74	kPa	Joback Calculated Property
Inp	[1875.00; 1915.40]
Inp	1875.00		NIST
Inp	1915.40		NIST
Inp	1875.00		NIST
Inp	1915.40		NIST
Tboil	726.96	K	Joback Calculated Property
Tc	946.77	K	Joback Calculated Property
Tfus	465.70	K	Joback Calculated Property
Vc	0.761	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[542.86; 606.36]	J/mol×K	[726.96; 946.77]
Cp,gas	542.86	J/mol×K	726.96	Joback Calculated Property
Cp,gas	555.88	J/mol×K	763.59	Joback Calculated Property
Cp,gas	567.85	J/mol×K	800.23	Joback Calculated Property
Cp,gas	578.82	J/mol×K	836.86	Joback Calculated Property
Cp,gas	588.85	J/mol×K	873.50	Joback Calculated Property
Cp,gas	598.01	J/mol×K	910.13	Joback Calculated Property
Cp,gas	606.36	J/mol×K	946.77	Joback Calculated Property

Similar Compounds

Find more compounds similar to Flufenamic acid, methyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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