Chemical Properties of 31-Norlanosterol acetate

InChI

InChI=1S/C31H50O2/c1-9-10-11-12-21(2)23-15-19-31(8)25-13-14-26-28(4,5)27(33-22(3)32)17-18-29(26,6)24(25)16-20-30(23,31)7/h9-10,21,23,26-27H,11-20H2,1-8H3/b10-9+/t21-,23?,26?,27-,29+,30+,31-/m1/s1

InChI Key

QBLZWFPDPZVSOO-JHBUWWQPSA-N

Formula

C31H50O2

SMILES

CC=CCCC(C)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(OC(C)=O)C(C)(C)C1CC3

Molecular Weight¹

454.73

• 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	0.6340		Relay (1.0) Calculated Property
ΔfG°	202.11	kJ/mol	Joback Calculated Property
ΔfH°gas	-646.51	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	36.02	kJ/mol	Joback Calculated Property
ΔvapH°	135.16	kJ/mol	Relay (1.0) Calculated Property
IE	7.67	eV	Relay (1.0) Calculated Property
log10WS	-6.79		Relay (1.0) Calculated Property
logPoct/wat	8.660		Crippen Calculated Property
McVol	403.050	ml/mol	McGowan Calculated Property
Pc	887.88	kPa	Joback Calculated Property
Inp	[3278.00; 3278.00]
Inp	3278.00		NIST
Inp	3278.00		NIST
Tboil	695.77	K	Relay (1.0) Calculated Property
Tc	974.09	K	Relay (1.0) Calculated Property
Tfus	404.50	K	Relay (1.0) Calculated Property
Vc	1.420	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1574.29; 1942.75]	J/mol×K	[1033.07; 1273.05]
Cp,gas	1574.29	J/mol×K	1033.07	Joback Calculated Property
Cp,gas	1623.78	J/mol×K	1073.07	Joback Calculated Property
Cp,gas	1677.19	J/mol×K	1113.06	Joback Calculated Property
Cp,gas	1735.16	J/mol×K	1153.06	Joback Calculated Property
Cp,gas	1798.32	J/mol×K	1193.06	Joback Calculated Property
Cp,gas	1867.31	J/mol×K	1233.05	Joback Calculated Property
Cp,gas	1942.75	J/mol×K	1273.05	Joback Calculated Property

Similar Compounds

Find more compounds similar to 31-Norlanosterol acetate.

Sources

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

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