Chemical Properties of Isonipecotic acid, N-benzoyl-, propyl ester

InChI

InChI=1S/C16H21NO3/c1-2-12-20-16(19)14-8-10-17(11-9-14)15(18)13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3

InChI Key

JUEQUMTYGYSLEP-UHFFFAOYSA-N

Formula

C16H21NO3

SMILES

CCCOC(=O)C1CCN(C(=O)c2ccccc2)CC1

Molecular Weight¹

275.35

• ω : Acentric Factor.
• 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).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation 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 Isonipecotic acid, N-benzoyl-, propyl 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
• McGowan Method
• NIST Webbook

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