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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[393.82; 1130.32]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-2.35480e+02
Coefficient B			2.88218e+00
Coefficient C			-2.33814e-03
Coefficient D			8.21760e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	393.82	J/mol×K	273.00	Calculated Property
Cp,gas	527.92	J/mol×K	353.78	Calculated Property
Cp,gas	642.89	J/mol×K	434.56	Calculated Property
Cp,gas	741.33	J/mol×K	515.33	Calculated Property
Cp,gas	825.84	J/mol×K	596.11	Calculated Property
Cp,gas	899.01	J/mol×K	676.89	Calculated Property
Cp,gas	963.44	J/mol×K	757.67	Calculated Property
Cp,gas	1021.74	J/mol×K	838.44	Calculated Property
Cp,gas	1076.50	J/mol×K	919.22	Calculated Property
Cp,gas	1130.32	J/mol×K	1000.00	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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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