Chemical Properties of Cholesterol, 7-oxo- (CAS 566-28-9)

InChI

InChI=1S/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h16-18,20-23,25,28H,6-15H2,1-5H3/t18?,20-,21?,22?,23?,25?,26?,27?/m1/s1

InChI Key

YIKKMWSQVKJCOP-SWTCZJJUSA-N

Formula

C27H44O2

SMILES

CC(C)CCCC(C)C1CCC2C3C(=O)C=C4CC(O)CCC4(C)C3CCC12C

Molecular Weight¹

400.64

CAS

566-28-9

Other Names

• Cholest-5-en-7-one, 3-hydroxy-, (3«beta»)-
• Cholest-5-en-7-one, 3«beta»-hydroxy-
• 7-Ketocholesterol
• 7-Oxocholesterol
• SC 4722
• 3-Hydroxycholest-5-en-7-one-, (3«beta»)-
• 5-Cholesten-3«beta»-ol-7-one
• 3«beta»-Hydroxycholest-5-en-7-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	[1371.68; 1582.95]	J/mol×K	[1015.20; 1248.05]
Cp,gas	1371.68	J/mol×K	1015.20	Joback Calculated Property
Cp,gas	1403.68	J/mol×K	1054.01	Joback Calculated Property
Cp,gas	1436.52	J/mol×K	1092.82	Joback Calculated Property
Cp,gas	1470.54	J/mol×K	1131.62	Joback Calculated Property
Cp,gas	1506.06	J/mol×K	1170.43	Joback Calculated Property
Cp,gas	1543.42	J/mol×K	1209.24	Joback Calculated Property
Cp,gas	1582.95	J/mol×K	1248.05	Joback Calculated Property

Similar Compounds

Find more compounds similar to Cholesterol, 7-oxo-.

Sources

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

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