Chemical Properties of 17«alpha»-Hydroxyprogesterone (CAS 68-96-2)

InChI

InChI=1S/C21H30O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h12,16-18,24H,4-11H2,1-3H3

InChI Key

DBPWSSGDRRHUNT-UHFFFAOYSA-N

Formula

C21H30O3

SMILES

CC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC21C

Molecular Weight¹

330.47

CAS

68-96-2

Other Names

• 17-Hydroxypregn-4-en-3,20-dione
• 17-Hydroxypregn-4-ene-3,20-dione
• 17-Hydroxyprogesterone
• Gestageno
• Gestageno Gador
• Pregn-4-ene-3,20-dione, 17-hydroxy-
• Prodix
• Prodox
• hydroxyprogesterone

• 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).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	21.46	kJ/mol	Joback Calculated Property
log10WS	-4.36		Relay (1.0) Calculated Property
logPoct/wat	3.838		Crippen Calculated Property
McVol	268.020	ml/mol	McGowan Calculated Property
Inp	[2991.90; 2991.90]
Inp	2991.90		NIST
Inp	2991.90		NIST
Tfus	495.65	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value

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	[341.36; 1038.37]	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			-3.09710e+02
Coefficient B			3.09936e+00
Coefficient C			-2.94234e-03
Coefficient D			1.19106e-06
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	341.36	J/mol×K	273.00	Calculated Property
Cp,gas	471.25	J/mol×K	353.78	Calculated Property
Cp,gas	579.25	J/mol×K	434.56	Calculated Property
Cp,gas	669.10	J/mol×K	515.33	Calculated Property
Cp,gas	744.60	J/mol×K	596.11	Calculated Property
Cp,gas	809.49	J/mol×K	676.89	Calculated Property
Cp,gas	867.54	J/mol×K	757.67	Calculated Property
Cp,gas	922.53	J/mol×K	838.44	Calculated Property
Cp,gas	978.22	J/mol×K	919.22	Calculated Property
Cp,gas	1038.37	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 17«alpha»-Hydroxyprogesterone.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
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