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

• 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).
• 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

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

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