Chemical Properties of Lonazolac, hydroxy, bis-methylated

InChI

InChI=1S/C19H17ClN2O3/c1-24-15-9-5-13(6-10-15)19-21-16(11-17(23)25-2)18(22-19)12-3-7-14(20)8-4-12/h3-10,19H,11H2,1-2H3

InChI Key

DSWWGKWTQCGBHZ-UHFFFAOYSA-N

Formula

C19H17ClN2O3

SMILES

COC(=O)CC1=NC(c2ccc(OC)cc2)N=C1c1ccc(Cl)cc1

Molecular Weight¹

356.80

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, 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, Log10 of Water solubility in mol/l 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	[805.74; 836.79]	J/mol×K	[964.54; 1225.62]
Cp,gas	805.74	J/mol×K	964.54	Joback Calculated Property
Cp,gas	816.42	J/mol×K	1008.05	Joback Calculated Property
Cp,gas	824.87	J/mol×K	1051.57	Joback Calculated Property
Cp,gas	831.09	J/mol×K	1095.08	Joback Calculated Property
Cp,gas	835.06	J/mol×K	1138.59	Joback Calculated Property
Cp,gas	836.79	J/mol×K	1182.11	Joback Calculated Property
Cp,gas	836.25	J/mol×K	1225.62	Joback Calculated Property

Similar Compounds

Find more compounds similar to Lonazolac, 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

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