Chemical Properties of Cholestan-3-one (CAS 15600-08-5)

InChI

InChI=1S/C27H46O/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/h18-20,22-25H,6-17H2,1-5H3

InChI Key

PESKGJQREUXSRR-UHFFFAOYSA-N

Formula

C27H46O

SMILES

CC(C)CCCC(C)C1CCC2C3CCC4CC(=O)CCC4(C)C3CCC12C

Molecular Weight¹

386.65

CAS

15600-08-5

Other Names

• 3-Oxocholestane
• Cholestanone
• 5-«alpha»-cholestan-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).
• 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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1308.06; 1505.29]	J/mol×K	[918.88; 1150.52]
Cp,gas	1308.06	J/mol×K	918.88	Joback Calculated Property
Cp,gas	1339.92	J/mol×K	957.49	Joback Calculated Property
Cp,gas	1371.74	J/mol×K	996.09	Joback Calculated Property
Cp,gas	1403.86	J/mol×K	1034.70	Joback Calculated Property
Cp,gas	1436.61	J/mol×K	1073.31	Joback Calculated Property
Cp,gas	1470.31	J/mol×K	1111.92	Joback Calculated Property
Cp,gas	1505.29	J/mol×K	1150.52	Joback Calculated Property

Similar Compounds

Find more compounds similar to Cholestan-3-one.

Sources

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

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