Chemical Properties of Flavone (CAS 525-82-6)

InChI

InChI=1S/C15H10O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H

InChI Key

VHBFFQKBGNRLFZ-UHFFFAOYSA-N

Formula

C15H10O2

SMILES

O=c1cc(-c2ccccc2)oc2ccccc12

Molecular Weight¹

222.24

CAS

525-82-6

Other Names

• 2-Phenyl-4-chromone
• 2-Phenyl-4H-1-benzopyran-4-one
• 2-Phenyl-4H-1-benzopyran-4-one (flavone)
• 2-Phenyl-4H-benzopyran-4-one
• 2-Phenyl-«gamma»-benzopyrone
• 2-Phenylbenzopyran-4-one
• 2-Phenylchromone
• 4H-1-Benzopyran-4-one, 2-phenyl-
• Asmacoril
• Chromocor
• Cromaril
• NSC 19028
• Phenylchromone

• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-8.60	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	20.32	kJ/mol	Energetics of flavone and flavanone
ΔsubH°	108.20 ± 1.70	kJ/mol	NIST
IE	8.38	eV	Relay (1.0) Calculated Property
log10WS	-4.50		Relay (1.0) Calculated Property
logPoct/wat	3.460		Crippen Calculated Property
McVol	166.970	ml/mol	McGowan Calculated Property
Pc	3126.17	kPa	Relay (1.0-beta) Calculated Property
Inp	[2148.00; 2160.00]
Inp	2148.00		NIST
Inp	2160.00		NIST
Inp	2150.00		NIST
Inp	2148.00		NIST
Tboil	657.84	K	Relay (1.0) Calculated Property
Tc	931.98	K	Relay (1.0) Calculated Property
Tfus	413.54	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, 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

Similar Compounds

Find more compounds similar to Flavone.

Mixtures

• Carbon dioxide + Ethanol + Flavone

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
• Solubility of flavone, 6-methoxyflavone and anthracene in supercritical CO2 with/without a co-solvent of ethanol correlated by using a newly proposed entropy-based solubility parameter
• Measurement and correlation of vapor-liquid distribution coefficients of flavonoids in high pressure carbon dioxide - ethanol - water systems
• Energetics of flavone and flavanone
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.