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_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).
• 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
ΔfH°gas	-819.99	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	33.20	kJ/mol	Joback Calculated Property
ΔvapH°	88.89	kJ/mol	Relay (1.0) Calculated Property
IE	7.87	eV	Relay (1.0) Calculated Property
log10WS	-5.00		Relay (1.0) Calculated Property
logPoct/wat	4.236		Crippen Calculated Property
McVol	197.420	ml/mol	McGowan Calculated Property
Pc	2216.62	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	622.89	K	Relay (1.0) Calculated Property
Tc	883.45	K	Relay (1.0) Calculated Property
Tfus	362.01	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[269.93; 617.74]	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			-3.19600e+01
Coefficient B			1.33462e+00
Coefficient C			-8.95520e-04
Coefficient D			2.10600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	269.93	J/mol×K	273.00	Calculated Property
Cp,gas	337.44	J/mol×K	353.78	Calculated Property
Cp,gas	396.18	J/mol×K	434.56	Calculated Property
Cp,gas	446.81	J/mol×K	515.33	Calculated Property
Cp,gas	490.01	J/mol×K	596.11	Calculated Property
Cp,gas	526.44	J/mol×K	676.89	Calculated Property
Cp,gas	556.76	J/mol×K	757.67	Calculated Property
Cp,gas	581.64	J/mol×K	838.44	Calculated Property
Cp,gas	601.74	J/mol×K	919.22	Calculated Property
Cp,gas	617.74	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Flufenamic acid, methyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback 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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.