Chemical Properties of 5,7-Dimethoxy-2-(4-methoxyphenyl)chroman-4-one (CAS 66074-95-1)

InChI

InChI=1S/C18H18O5/c1-20-12-6-4-11(5-7-12)15-10-14(19)18-16(22-3)8-13(21-2)9-17(18)23-15/h4-9,15H,10H2,1-3H3

InChI Key

MQFSCAHSIUPLSB-UHFFFAOYSA-N

Formula

C18H18O5

SMILES

COc1ccc(C2CC(=O)c3c(OC)cc(OC)cc3O2)cc1

Molecular Weight¹

314.33

CAS

66074-95-1

• 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°	-188.08	kJ/mol	Joback Calculated Property
ΔfH°gas	-587.39	kJ/mol	Joback Calculated Property
ΔfusH°	35.99	kJ/mol	Joback Calculated Property
ΔvapH°	78.93	kJ/mol	Joback Calculated Property
log10WS	-4.58		Crippen Calculated Property
logPoct/wat	3.419		Crippen Calculated Property
McVol	231.150	ml/mol	McGowan Calculated Property
Pc	2040.07	kPa	Joback Calculated Property
Inp	[2855.40; 2855.40]
Inp	2855.40		NIST
Inp	2855.40		NIST
Tboil	857.56	K	Joback Calculated Property
Tc	1100.83	K	Joback Calculated Property
Tfus	571.44	K	Joback Calculated Property
Vc	0.859	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[708.95; 773.93]	J/mol×K	[857.56; 1100.83]
Cp,gas	708.95	J/mol×K	857.56	Joback Calculated Property
Cp,gas	723.98	J/mol×K	898.10	Joback Calculated Property
Cp,gas	737.36	J/mol×K	938.65	Joback Calculated Property
Cp,gas	749.07	J/mol×K	979.19	Joback Calculated Property
Cp,gas	759.08	J/mol×K	1019.74	Joback Calculated Property
Cp,gas	767.38	J/mol×K	1060.28	Joback Calculated Property
Cp,gas	773.93	J/mol×K	1100.83	Joback Calculated Property

Similar Compounds

Find more compounds similar to 5,7-Dimethoxy-2-(4-methoxyphenyl)chroman-4-one.

Sources

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

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