Chemical Properties of [2-(azepan-1-yl)-2-oxoethyl] benzoate

InChI

InChI=1S/C15H19NO3/c17-14(16-10-6-1-2-7-11-16)12-19-15(18)13-8-4-3-5-9-13/h3-5,8-9H,1-2,6-7,10-12H2

InChI Key

FZBXGZBXWFNCQY-UHFFFAOYSA-N

Formula

C15H19NO3

SMILES

O=C(OCC(=O)N1CCCCCC1)c1ccccc1

Molecular Weight¹

261.32

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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

Similar Compounds

Find more compounds similar to [2-(azepan-1-yl)-2-oxoethyl] benzoate.

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
• Aqueous Solubility Prediction Method
• McGowan Method

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