Chemical Properties of 3-Phenyl-6-benzoyl-alpha-pyrone (CAS 116659-67-7)

InChI

InChI=1S/C18H12O3/c19-17(14-9-5-2-6-10-14)16-12-11-15(18(20)21-16)13-7-3-1-4-8-13/h1-12H

InChI Key

WZZSWNVLVXGHDV-UHFFFAOYSA-N

Formula

C18H12O3

SMILES

O=C(c1ccccc1)c1ccc(-c2ccccc2)c(=O)o1

Molecular Weight¹

276.29

CAS

116659-67-7

• 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 3-Phenyl-6-benzoyl-alpha-pyrone.

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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