Chemical Properties of 31-Nor-7-lanosterol acetate

InChI

InChI=1S/C31H52O2/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/h13,21,23-24,26-27H,9-12,14-20H2,1-8H3/t21-,23?,24?,26?,27-,29+,30+,31-/m1/s1

InChI Key

KAQDYZSKYROZFD-IMQMZZFDSA-N

Formula

C31H52O2

SMILES

CCCCCC(C)C1CCC2(C)C3=CCC4C(C)(C)C(OC(C)=O)CCC4(C)C3CCC12C

Molecular Weight¹

456.74

• 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	0.6914		Relay (1.0) Calculated Property
ΔfG°	123.81	kJ/mol	Joback Calculated Property
ΔfH°gas	-704.66	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	37.27	kJ/mol	Joback Calculated Property
ΔvapH°	133.07	kJ/mol	Relay (1.0) Calculated Property
IE	7.98	eV	Relay (1.0) Calculated Property
log10WS	-7.51		Relay (1.0) Calculated Property
logPoct/wat	8.740		Crippen Calculated Property
McVol	407.350	ml/mol	McGowan Calculated Property
Pc	851.97	kPa	Joback Calculated Property
Inp	[3286.00; 3286.00]
Inp	3286.00		NIST
Inp	3286.00		NIST
Tboil	685.99	K	Relay (1.0) Calculated Property
Tc	974.06	K	Relay (1.0) Calculated Property
Tfus	404.13	K	Relay (1.0) Calculated Property
Vc	1.468	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1598.35; 1942.16]	J/mol×K	[1019.26; 1254.31]
Cp,gas	1598.35	J/mol×K	1019.26	Joback Calculated Property
Cp,gas	1645.55	J/mol×K	1058.43	Joback Calculated Property
Cp,gas	1696.03	J/mol×K	1097.61	Joback Calculated Property
Cp,gas	1750.35	J/mol×K	1136.78	Joback Calculated Property
Cp,gas	1809.09	J/mol×K	1175.96	Joback Calculated Property
Cp,gas	1872.84	J/mol×K	1215.13	Joback Calculated Property
Cp,gas	1942.16	J/mol×K	1254.31	Joback Calculated Property

Similar Compounds

Find more compounds similar to 31-Nor-7-lanosterol acetate.

Sources

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

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