Chemical Properties of Diclofenac, hydroxy, bis-methylated

InChI

InChI=1S/C16H15Cl2NO3/c1-21-11-8-12(17)16(13(18)9-11)19-14-6-4-3-5-10(14)7-15(20)22-2/h3-6,8-9,19H,7H2,1-2H3

InChI Key

LMSWJSSPABTCQU-UHFFFAOYSA-N

Formula

C16H15Cl2NO3

SMILES

COC(=O)Cc1ccccc1Nc1c(Cl)cc(OC)cc1Cl

Molecular Weight¹

340.20

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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).
• 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, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[636.33; 688.46]	J/mol×K	[844.63; 1079.29]
Cp,gas	636.33	J/mol×K	844.63	Joback Calculated Property
Cp,gas	648.02	J/mol×K	883.74	Joback Calculated Property
Cp,gas	658.48	J/mol×K	922.85	Joback Calculated Property
Cp,gas	667.74	J/mol×K	961.96	Joback Calculated Property
Cp,gas	675.82	J/mol×K	1001.07	Joback Calculated Property
Cp,gas	682.72	J/mol×K	1040.18	Joback Calculated Property
Cp,gas	688.46	J/mol×K	1079.29	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diclofenac, hydroxy, bis-methylated.

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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