Chemical Properties of P-phenylazo carbanilic acid, phenethyl ester (CAS 95937-85-2)

InChI

InChI=1S/C21H19N3O2/c25-21(26-16-15-17-7-3-1-4-8-17)22-18-11-13-20(14-12-18)24-23-19-9-5-2-6-10-19/h1-14H,15-16H2,(H,22,25)

InChI Key

FBMSYYZACNSNGT-UHFFFAOYSA-N

Formula

C21H19N3O2

SMILES

O=C(Nc1ccc(N=Nc2ccccc2)cc1)OCCc1ccccc1

Molecular Weight¹

345.39

CAS

95937-85-2

• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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, 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.

Similar Compounds

Find more compounds similar to P-phenylazo carbanilic acid, phenethyl 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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