Chemical Properties of Pregn-4-ene-3,20-dione, 11«alpha»-hydroxy-, acetate (CAS 2268-98-6)

InChI

InChI=1S/C23H32O4/c1-13(24)18-7-8-19-17-6-5-15-11-16(26)9-10-22(15,3)21(17)20(27-14(2)25)12-23(18,19)4/h11,17-21H,5-10,12H2,1-4H3

InChI Key

IWRPVTXREVYBHT-UHFFFAOYSA-N

Formula

C23H32O4

SMILES

CC(=O)OC1CC2(C)C(C(C)=O)CCC2C2CCC3=CC(=O)CCC3(C)C12

Molecular Weight¹

372.50

CAS

2268-98-6

Other Names

• Pregn-4-ene-3,20-dione, 11-(acetyloxy)-, (11«alpha»)-
• 11«alpha»-Acetoxyprogesterone
• 11«alpha»-acetoxypregn-4-ene-3,20-dione
• Progesterone, 11alpha-hydroxy-, acetate
• 11«alpha»-Hydroxyprogesterone Acetate
• 4-Pregnen-11«alpha»-ol-3,20-dione Acetate
• 3,20-Dioxopregn-4-en-11-yl acetate, (11«alpha»)-
• 11Alpha-acetoxypregn-4-ene-3,20-dione

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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).
• 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	[1104.24; 1286.22]	J/mol×K	[962.54; 1208.68]
Cp,gas	1104.24	J/mol×K	962.54	Joback Calculated Property
Cp,gas	1132.17	J/mol×K	1003.56	Joback Calculated Property
Cp,gas	1160.62	J/mol×K	1044.59	Joback Calculated Property
Cp,gas	1189.90	J/mol×K	1085.61	Joback Calculated Property
Cp,gas	1220.38	J/mol×K	1126.63	Joback Calculated Property
Cp,gas	1252.37	J/mol×K	1167.66	Joback Calculated Property
Cp,gas	1286.22	J/mol×K	1208.68	Joback Calculated Property

Similar Compounds

Find more compounds similar to Pregn-4-ene-3,20-dione, 11«alpha»-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

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.
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