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_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-506.71	kJ/mol	Joback Calculated Property
ΔfH°gas	-1080.38	kJ/mol	Joback Calculated Property
ΔfusH°	46.16	kJ/mol	Joback Calculated Property
ΔvapH°	94.83	kJ/mol	Joback Calculated Property
log10WS	-4.94		Crippen Calculated Property
logPoct/wat	3.445		Crippen Calculated Property
McVol	291.030	ml/mol	McGowan Calculated Property
Pc	1481.57	kPa	Joback Calculated Property
Inp	[3034.80; 3034.80]
Inp	3034.80		NIST
Inp	3034.80		NIST
Tboil	1008.40	K	Joback Calculated Property
Tc	1245.17	K	Joback Calculated Property
Tfus	709.50	K	Joback Calculated Property
Vc	1.081	m3/kmol	Joback Calculated Property

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

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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