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_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°	-152.47	kJ/mol	Joback Calculated Property
ΔfH°gas	-594.13	kJ/mol	Joback Calculated Property
ΔfusH°	52.38	kJ/mol	Joback Calculated Property
ΔvapH°	106.31	kJ/mol	Joback Calculated Property
log10WS	-4.87		Crippen Calculated Property
logPoct/wat	4.009		Crippen Calculated Property
McVol	262.560	ml/mol	McGowan Calculated Property
Pc	2555.92	kPa	Joback Calculated Property
Inp	[3123.20; 3123.20]
Inp	3123.20		NIST
Inp	3123.20		NIST
Tboil	1012.14	K	Joback Calculated Property
Tc	1277.10	K	Joback Calculated Property
Tfus	781.66	K	Joback Calculated Property
Vc	0.870	m3/kmol	Joback Calculated Property

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

• 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.