Chemical Properties of Flavanone (CAS 487-26-3)

InChI

InChI=1S/C15H12O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-9,15H,10H2

InChI Key

ZONYXWQDUYMKFB-UHFFFAOYSA-N

Formula

C15H12O2

SMILES

O=C1CC(c2ccccc2)Oc2ccccc21

Molecular Weight¹

224.25

CAS

487-26-3

Other Names

• 2,3-Dihydro-2-phenyl-4H-1-benzopyran-4-one
• 2,3-Dihydro-2-phenyl-4H-1-benzopyran-4-one (flavanone)
• 2,3-dihydroflavone
• 2-Phenyl-4-chromanone
• 4-Flavanone
• 4H-1-Benzopyran-4-one, 2,3-dihydro-2-phenyl-

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_subH° : Enthalpy of sublimation 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).
• I_np : Non-polar retention indices.
• 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 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.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[207.12; 553.27]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-6.58700e+01
Coefficient B			1.18150e+00
Coefficient C			-7.03460e-04
Coefficient D			1.41100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	207.12	J/mol×K	273.00	Calculated Property
Cp,gas	270.32	J/mol×K	353.78	Calculated Property
Cp,gas	326.30	J/mol×K	434.56	Calculated Property
Cp,gas	375.49	J/mol×K	515.33	Calculated Property
Cp,gas	418.35	J/mol×K	596.11	Calculated Property
Cp,gas	455.32	J/mol×K	676.89	Calculated Property
Cp,gas	486.86	J/mol×K	757.67	Calculated Property
Cp,gas	513.39	J/mol×K	838.44	Calculated Property
Cp,gas	535.38	J/mol×K	919.22	Calculated Property
Cp,gas	553.27	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Flavanone.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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
• Energetics of flavone and flavanone
• Joback Method
• McGowan Method
• NIST Webbook

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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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