Chemical Properties of 5Alpha-pregnan-20-one, 16alpha, 17alpha-epoxy-3beta-hydroxy-, acetate

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

374.52

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

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)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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