Chemical Properties of 3'-Hydroxy-4'-O-methylglabridin (CAS 175554-11-7)

InChI

InChI=1S/C21H22O5/c1-21(2)9-8-15-16(26-21)6-4-12-10-13(11-25-20(12)15)14-5-7-17(24-3)19(23)18(14)22/h4-9,13,22-23H,10-11H2,1-3H3

InChI Key

PPBISUGOQDBBEL-UHFFFAOYSA-N

Formula

C21H22O5

SMILES

COc1ccc(C2COc3c(ccc4c3C=CC(C)(C)O4)C2)c(O)c1O

Molecular Weight¹

354.40

CAS

175554-11-7

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	52.38	kJ/mol	Joback Calculated Property
logPoct/wat	4.009		Crippen Calculated Property
McVol	262.560	ml/mol	McGowan Calculated Property
Inp	[3123.20; 3123.20]
Inp	3123.20		NIST
Inp	3123.20		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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, Log10 of Water solubility in mol/l 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	[901.43; 1083.59]	J/mol×K	[1012.14; 1277.10]
Cp,gas	901.43	J/mol×K	1012.14	Joback Calculated Property
Cp,gas	925.88	J/mol×K	1056.30	Joback Calculated Property
Cp,gas	952.13	J/mol×K	1100.46	Joback Calculated Property
Cp,gas	980.59	J/mol×K	1144.62	Joback Calculated Property
Cp,gas	1011.71	J/mol×K	1188.78	Joback Calculated Property
Cp,gas	1045.90	J/mol×K	1232.94	Joback Calculated Property
Cp,gas	1083.59	J/mol×K	1277.10	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3'-Hydroxy-4'-O-methylglabridin.

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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