Chemical Properties of 5Alpha-pregnan-20-one, 16alpha, 17alpha-epoxy-3beta-hydroxy-, acetate (CAS 2066-51-5)

InChI

InChI=1S/C23H34O4/c1-13(24)23-20(27-23)12-19-17-6-5-15-11-16(26-14(2)25)7-9-21(15,3)18(17)8-10-22(19,23)4/h15-20H,5-12H2,1-4H3

InChI Key

BDJNJWJAJKMWQI-UHFFFAOYSA-N

Formula

C23H34O4

SMILES

CC(=O)OC1CCC2(C)C(CCC3C2CCC2(C)C3CC3OC32C(C)=O)C1

Molecular Weight¹

374.51

CAS

2066-51-5

• 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	[1102.69; 1325.32]	J/mol×K	[911.30; 1150.72]
Cp,gas	1102.69	J/mol×K	911.30	Joback Calculated Property
Cp,gas	1134.05	J/mol×K	951.20	Joback Calculated Property
Cp,gas	1167.01	J/mol×K	991.11	Joback Calculated Property
Cp,gas	1202.10	J/mol×K	1031.01	Joback Calculated Property
Cp,gas	1239.83	J/mol×K	1070.92	Joback Calculated Property
Cp,gas	1280.73	J/mol×K	1110.82	Joback Calculated Property
Cp,gas	1325.32	J/mol×K	1150.72	Joback Calculated Property

Similar Compounds

Find more compounds similar to 5Alpha-pregnan-20-one, 16alpha, 17alpha-epoxy-3beta-hydroxy-, acetate.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.