Chemical Properties of Hispaglabridin B (CAS 68978-02-9)

InChI

InChI=1S/C25H26O4/c1-24(2)11-9-18-20(28-24)8-6-17(22(18)26)16-13-15-5-7-21-19(23(15)27-14-16)10-12-25(3,4)29-21/h5-12,16,26H,13-14H2,1-4H3

InChI Key

CJUFYKORDZSOLF-UHFFFAOYSA-N

Formula

C25H26O4

SMILES

CC1(C)C=Cc2c(ccc(C3COc4c(ccc5c4C=CC(C)(C)O5)C3)c2O)O1

Molecular Weight¹

390.47

CAS

68978-02-9

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.8131		Relay (1.0) Calculated Property
ΔfG°	118.20	kJ/mol	Joback Calculated Property
ΔfH°gas	-456.39	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	54.32	kJ/mol	Joback Calculated Property
ΔvapH°	148.01	kJ/mol	Relay (1.0) Calculated Property
IE	6.94	eV	Relay (1.0) Calculated Property
log10WS	-5.67		Relay (1.0) Calculated Property
logPoct/wat	5.479		Crippen Calculated Property
McVol	297.890	ml/mol	McGowan Calculated Property
Pc	1920.30	kPa	Joback Calculated Property
Inp	[3273.30; 3273.30]
Inp	3273.30		NIST
Inp	3273.30		NIST
Tboil	705.10	K	Relay (1.0) Calculated Property
Tc	1062.81	K	Relay (1.0) Calculated Property
Tfus	414.40	K	Relay (1.0) Calculated Property
Vc	1.144	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1064.93; 1339.31]	J/mol×K	[1042.96; 1314.09]
Cp,gas	1064.93	J/mol×K	1042.96	Joback Calculated Property
Cp,gas	1099.81	J/mol×K	1088.15	Joback Calculated Property
Cp,gas	1138.20	J/mol×K	1133.34	Joback Calculated Property
Cp,gas	1180.72	J/mol×K	1178.53	Joback Calculated Property
Cp,gas	1227.99	J/mol×K	1223.72	Joback Calculated Property
Cp,gas	1280.64	J/mol×K	1268.91	Joback Calculated Property
Cp,gas	1339.31	J/mol×K	1314.09	Joback Calculated Property

Similar Compounds

Find more compounds similar to Hispaglabridin B.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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