Chemical Properties of Benzoic acid, 2-[(2,3-dimethylphenyl)amino]-, methyl ester (CAS 1222-42-0)

InChI

InChI=1S/C16H17NO2/c1-11-7-6-10-14(12(11)2)17-15-9-5-4-8-13(15)16(18)19-3/h4-10,17H,1-3H3

InChI Key

LCCVYZLUEHOBDC-UHFFFAOYSA-N

Formula

C16H17NO2

SMILES

COC(=O)c1ccccc1Nc1cccc(C)c1C

Molecular Weight¹

255.31

CAS

1222-42-0

Other Names

• Mefenamic acid methyl derivative
• Mefenamic acid, methyl deriv.
• Mefenamic acid, methyl ester
• Monomethyl derivative of mefenamic acid

• 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).
• 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

Cheméo can also estimate Critical Volume, Enthalpy of vaporization 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[270.56; 643.61]	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			-1.23700e+01
Coefficient B			1.20896e+00
Coefficient C			-6.61880e-04
Coefficient D			1.08900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	270.56	J/mol×K	273.00	Calculated Property
Cp,gas	337.32	J/mol×K	353.78	Calculated Property
Cp,gas	396.94	J/mol×K	434.56	Calculated Property
Cp,gas	449.78	J/mol×K	515.33	Calculated Property
Cp,gas	496.17	J/mol×K	596.11	Calculated Property
Cp,gas	536.48	J/mol×K	676.89	Calculated Property
Cp,gas	571.03	J/mol×K	757.67	Calculated Property
Cp,gas	600.17	J/mol×K	838.44	Calculated Property
Cp,gas	624.25	J/mol×K	919.22	Calculated Property
Cp,gas	643.61	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Benzoic acid, 2-[(2,3-dimethylphenyl)amino]-, methyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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