Chemical Properties of 14Alpha,21-dihydroxypregn-4-ene-3,20-dione

InChI

InChI=1S/C21H30O4/c1-19-8-5-14(23)11-13(19)3-4-16-15(19)6-9-20(2)17(18(24)12-22)7-10-21(16,20)25/h11,15-17,22,25H,3-10,12H2,1-2H3

InChI Key

XKCAPZYNIKDWOX-UHFFFAOYSA-N

Formula

C21H30O4

SMILES

CC12CCC(=O)C=C1CCC1C2CCC2(C)C(C(=O)CO)CCC12O

Molecular Weight¹

346.47

Other Names

• 14«alpha»-Hydroxydeoxycorticosterone
• 14Alpha,21-dihydroxypregn-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	[1081.15; 1337.41]	J/mol×K	[1029.76; 1268.13]
Cp,gas	1081.15	J/mol×K	1029.76	Joback Calculated Property
Cp,gas	1115.41	J/mol×K	1069.49	Joback Calculated Property
Cp,gas	1152.45	J/mol×K	1109.22	Joback Calculated Property
Cp,gas	1192.71	J/mol×K	1148.94	Joback Calculated Property
Cp,gas	1236.66	J/mol×K	1188.67	Joback Calculated Property
Cp,gas	1284.74	J/mol×K	1228.40	Joback Calculated Property
Cp,gas	1337.41	J/mol×K	1268.13	Joback Calculated Property

Similar Compounds

Find more compounds similar to 14Alpha,21-dihydroxypregn-4-ene-3,20-dione.

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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