Chemical Properties of 5,6,7,8,3',4'-Hexamethoxyflavanone (CAS 67549-69-3)

InChI

InChI=1S/C21H24O8/c1-23-13-8-7-11(9-15(13)24-2)14-10-12(22)16-17(25-3)19(26-4)21(28-6)20(27-5)18(16)29-14/h7-9,14H,10H2,1-6H3

InChI Key

LTRBUBSPQISFFL-UHFFFAOYSA-N

Formula

C21H24O8

SMILES

COc1ccc(C2CC(=O)c3c(OC)c(OC)c(OC)c(OC)c3O2)cc1OC

Molecular Weight¹

404.41

CAS

67549-69-3

• 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

Property	Value	Unit	Source
ΔfusH°	46.16	kJ/mol	Joback Calculated Property
log10WS	-3.58		Relay (1.0) Calculated Property
logPoct/wat	3.445		Crippen Calculated Property
McVol	291.030	ml/mol	McGowan Calculated Property
Inp	[3034.80; 3034.80]
Inp	3034.80		NIST
Inp	3034.80		NIST
Tfus	433.02	K	Relay (1.0) Calculated Property

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	[957.99; 982.44]	J/mol×K	[1008.40; 1245.17]
Cp,gas	957.99	J/mol×K	1008.40	Joback Calculated Property
Cp,gas	967.93	J/mol×K	1047.86	Joback Calculated Property
Cp,gas	975.37	J/mol×K	1087.32	Joback Calculated Property
Cp,gas	980.24	J/mol×K	1126.78	Joback Calculated Property
Cp,gas	982.44	J/mol×K	1166.25	Joback Calculated Property
Cp,gas	981.85	J/mol×K	1205.71	Joback Calculated Property
Cp,gas	978.39	J/mol×K	1245.17	Joback Calculated Property

Similar Compounds

Find more compounds similar to 5,6,7,8,3',4'-Hexamethoxyflavanone.

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

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.
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