Chemical Properties of Diclofenac, methyl ester (CAS 15307-78-5)

InChI

InChI=1S/C15H13Cl2NO2/c1-20-14(19)9-10-5-2-3-8-13(10)18-15-11(16)6-4-7-12(15)17/h2-8,18H,9H2,1H3

InChI Key

VETACGBDFVVKGZ-UHFFFAOYSA-N

Formula

C15H13Cl2NO2

SMILES

COC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl

Molecular Weight¹

310.18

CAS

15307-78-5

Other Names

• Methyl [2-(2,6-dichloroanilino)phenyl]acetate
• Diclofenac, Me
• Diclofenac, methylated
• Acetic acid, [o-(2,6-dichloroanilino)phenyl]-, methyl ester
• Diclofenac, 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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[561.49; 617.42]	J/mol×K	[812.22; 1054.21]
Cp,gas	561.49	J/mol×K	812.22	Joback Calculated Property
Cp,gas	573.41	J/mol×K	852.55	Joback Calculated Property
Cp,gas	584.23	J/mol×K	892.88	Joback Calculated Property
Cp,gas	593.99	J/mol×K	933.22	Joback Calculated Property
Cp,gas	602.75	J/mol×K	973.55	Joback Calculated Property
Cp,gas	610.55	J/mol×K	1013.88	Joback Calculated Property
Cp,gas	617.42	J/mol×K	1054.21	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diclofenac, methyl ester.

Sources

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

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