Chemical Properties of 16ALPHA,17-EPOXYPROGESTERONE

InChI

InChI=1S/C21H28O3/c1-12(22)21-18(24-21)11-17-15-5-4-13-10-14(23)6-8-19(13,2)16(15)7-9-20(17,21)3/h10,15-18H,4-9,11H2,1-3H3

InChI Key

LHNVKVKZPHUYQO-UHFFFAOYSA-N

Formula

C21H28O3

SMILES

CC(=O)C12OC1CC1C3CCC4=CC(=O)CCC4(C)C3CCC12C

Molecular Weight¹

328.45

Other Names

• 16-«alpha»,17-Epoxypregn-4-ene-3,20-dione
• 16«alpha»,17«alpha»-Epoxypregn-4-ene-3,20-dione
• 16«alpha»,17«alpha»-epoxyprogesterone
• Pregn-4-ene-3,20-dione, 16-«alpha»,17-epoxy-

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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 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	[921.39; 1132.72]	J/mol×K	[870.55; 1126.69]
Cp,gas	921.39	J/mol×K	870.55	Joback Calculated Property
Cp,gas	950.56	J/mol×K	913.24	Joback Calculated Property
Cp,gas	981.32	J/mol×K	955.93	Joback Calculated Property
Cp,gas	1014.29	J/mol×K	998.62	Joback Calculated Property
Cp,gas	1050.10	J/mol×K	1041.31	Joback Calculated Property
Cp,gas	1089.37	J/mol×K	1084.00	Joback Calculated Property
Cp,gas	1132.72	J/mol×K	1126.69	Joback Calculated Property
ΔfusH	26.40	kJ/mol	328.50	NIST

Similar Compounds

Find more compounds similar to 16ALPHA,17-EPOXYPROGESTERONE.

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

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.