Chemical Properties of Cholest-1-en-3-one, (5«alpha»)- (CAS 601-55-8)

InChI

InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h13,15,18-20,22-25H,6-12,14,16-17H2,1-5H3/t19-,20+,22+,23-,24+,25+,26+,27-/m0/s1

InChI Key

IIPHPVVRBVBREZ-WZQCNCHSSA-N

Formula

C27H44O

SMILES

CC(C)CCCC(C)C1CCC2C3CCC4CC(=O)C=CC4(C)C3CCC12C

Molecular Weight¹

384.64

CAS

601-55-8

Other Names

• 5«alpha»-Cholest-1-en-3-one
• 17-(1,5-Dimethylhexyl)-10,13-dimethyl-4,5,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
• 5-alpha-Cholest-1-en-3-one

• 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).
• 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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1277.71; 1472.21]	J/mol×K	[918.04; 1150.89]
Cp,gas	1277.71	J/mol×K	918.04	Joback Calculated Property
Cp,gas	1308.92	J/mol×K	956.85	Joback Calculated Property
Cp,gas	1340.16	J/mol×K	995.66	Joback Calculated Property
Cp,gas	1371.77	J/mol×K	1034.46	Joback Calculated Property
Cp,gas	1404.10	J/mol×K	1073.27	Joback Calculated Property
Cp,gas	1437.46	J/mol×K	1112.08	Joback Calculated Property
Cp,gas	1472.21	J/mol×K	1150.89	Joback Calculated Property

Similar Compounds

Find more compounds similar to Cholest-1-en-3-one, (5«alpha»)-.

Sources

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

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