Chemical Properties of 4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-phenyl-, (S)- (CAS 480-39-7)

InChI

InChI=1S/C15H12O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-7,13,16-17H,8H2

InChI Key

URFCJEUYXNAHFI-UHFFFAOYSA-N

Formula

C15H12O4

SMILES

O=C1CC(c2ccccc2)Oc2cc(O)cc(O)c21

Molecular Weight¹

256.25

CAS

480-39-7

Other Names

• Dihydrochrysin
• Galangin flavanone
• Pinocembrin
• 4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-phenyl-, (-)-
• 5,7-Dihydroxyflavanone

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, 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, Ionization energy 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

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[560.33; 640.82]	J/mol×K	[868.16; 1147.32]
Cp,gas	560.33	J/mol×K	868.16	Joback Calculated Property
Cp,gas	573.99	J/mol×K	914.69	Joback Calculated Property
Cp,gas	587.23	J/mol×K	961.21	Joback Calculated Property
Cp,gas	600.28	J/mol×K	1007.74	Joback Calculated Property
Cp,gas	613.40	J/mol×K	1054.27	Joback Calculated Property
Cp,gas	626.83	J/mol×K	1100.80	Joback Calculated Property
Cp,gas	640.82	J/mol×K	1147.32	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-phenyl-, (S)-.

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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