Chemical Properties of P-phenyl azo carbanilic acid, cinnamyl ester (CAS 95166-23-7)

InChI

InChI=1S/C22H19N3O2/c26-22(27-17-7-10-18-8-3-1-4-9-18)23-19-13-15-21(16-14-19)25-24-20-11-5-2-6-12-20/h1-16H,17H2,(H,23,26)/b10-7+,25-24+

InChI Key

KHTDQWIGWSVYNA-WVLXALBKSA-N

Formula

C22H19N3O2

SMILES

O=C(Nc1ccc(N=Nc2ccccc2)cc1)OCC=Cc1ccccc1

Molecular Weight¹

357.41

CAS

95166-23-7

• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• 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.

Similar Compounds

Find more compounds similar to P-phenyl azo carbanilic acid, cinnamyl 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

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