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_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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point 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 Temperature, Critical Pressure, Critical Volume, Enthalpy of formation 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[558.55; 614.35]	J/mol×K	[794.35; 1034.95]
Cp,gas	558.55	J/mol×K	794.35	Joback Calculated Property
Cp,gas	570.60	J/mol×K	834.45	Joback Calculated Property
Cp,gas	581.49	J/mol×K	874.55	Joback Calculated Property
Cp,gas	591.26	J/mol×K	914.65	Joback Calculated Property
Cp,gas	599.97	J/mol×K	954.75	Joback Calculated Property
Cp,gas	607.65	J/mol×K	994.85	Joback Calculated Property
Cp,gas	614.35	J/mol×K	1034.95	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diclofenac, methyl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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.
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