Chemical Properties of Hispaglabridin A (CAS 68978-03-0)

InChI

InChI=1S/C25H28O4/c1-15(2)5-7-19-21(26)9-8-18(23(19)27)17-13-16-6-10-22-20(24(16)28-14-17)11-12-25(3,4)29-22/h5-6,8-12,17,26-27H,7,13-14H2,1-4H3

InChI Key

HZHXMXSXYQCAIG-UHFFFAOYSA-N

Formula

C25H28O4

SMILES

CC(C)=CCc1c(O)ccc(C2COc3c(ccc4c3C=CC(C)(C)O4)C2)c1O

Molecular Weight¹

392.49

CAS

68978-03-0

• 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°	57.88	kJ/mol	Joback Calculated Property
ΔfH°gas	-437.04	kJ/mol	Joback Calculated Property
ΔfusH°	60.44	kJ/mol	Joback Calculated Property
ΔvapH°	112.84	kJ/mol	Joback Calculated Property
log10WS	-6.66		Crippen Calculated Property
logPoct/wat	5.509		Crippen Calculated Property
McVol	308.750	ml/mol	McGowan Calculated Property
Pc	1910.24	kPa	Joback Calculated Property
Inp	[3455.90; 3455.90]
Inp	3455.90		NIST
Inp	3455.90		NIST
Tboil	1085.28	K	Joback Calculated Property
Tc	1350.55	K	Joback Calculated Property
Tfus	785.47	K	Joback Calculated Property
Vc	1.056	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1107.82; 1354.70]	J/mol×K	[1085.28; 1350.55]
Cp,gas	1107.82	J/mol×K	1085.28	Joback Calculated Property
Cp,gas	1140.04	J/mol×K	1129.49	Joback Calculated Property
Cp,gas	1175.16	J/mol×K	1173.70	Joback Calculated Property
Cp,gas	1213.67	J/mol×K	1217.92	Joback Calculated Property
Cp,gas	1256.10	J/mol×K	1262.13	Joback Calculated Property
Cp,gas	1302.94	J/mol×K	1306.34	Joback Calculated Property
Cp,gas	1354.70	J/mol×K	1350.55	Joback Calculated Property

Similar Compounds

Find more compounds similar to Hispaglabridin A.

Sources

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

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