Chemical Properties of 5-Cholesten-3«beta»-ol-7-one, methyl ether

InChI

InChI=1S/C28H46O2/c1-18(2)8-7-9-19(3)22-10-11-23-26-24(13-15-28(22,23)5)27(4)14-12-21(30-6)16-20(27)17-25(26)29/h17-19,21-24,26H,7-16H2,1-6H3

InChI Key

YLJFYUPNPBFGPI-UHFFFAOYSA-N

Formula

C28H46O2

SMILES

COC1CCC2(C)C(=CC(=O)C3C2CCC2(C)C(C(C)CCCC(C)C)CCC32)C1

Molecular Weight¹

414.66

Other Names

• (3«beta»)-3-Methoxycholest-5-en-7-one

• 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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1384.59; 1585.79]	J/mol×K	[968.32; 1200.58]
Cp,gas	1384.59	J/mol×K	968.32	Joback Calculated Property
Cp,gas	1416.53	J/mol×K	1007.03	Joback Calculated Property
Cp,gas	1448.69	J/mol×K	1045.74	Joback Calculated Property
Cp,gas	1481.39	J/mol×K	1084.45	Joback Calculated Property
Cp,gas	1514.93	J/mol×K	1123.16	Joback Calculated Property
Cp,gas	1549.63	J/mol×K	1161.87	Joback Calculated Property
Cp,gas	1585.79	J/mol×K	1200.58	Joback Calculated Property

Similar Compounds

Find more compounds similar to 5-Cholesten-3«beta»-ol-7-one, methyl ether.

Sources

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

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