Chemical Properties of 16Beta-hydroxymethyl-5alpha,17alpha-pregnan-3,20-dione

InChI

InChI=1S/C22H34O3/c1-13(24)20-14(12-23)10-19-17-5-4-15-11-16(25)6-8-21(15,2)18(17)7-9-22(19,20)3/h14-15,17-20,23H,4-12H2,1-3H3

InChI Key

YPNOLIWRANPJKA-UHFFFAOYSA-N

Formula

C22H34O3

SMILES

CC(=O)C1C(CO)CC2C3CCC4CC(=O)CCC4(C)C3CCC21C

Molecular Weight¹

346.51

• 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	[374.95; 1130.29]	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			-2.70829e+02
Coefficient B			2.96496e+00
Coefficient C			-2.43310e-03
Coefficient D			8.69260e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	374.95	J/mol×K	273.00	Calculated Property
Cp,gas	512.07	J/mol×K	353.78	Calculated Property
Cp,gas	629.48	J/mol×K	434.56	Calculated Property
Cp,gas	729.92	J/mol×K	515.33	Calculated Property
Cp,gas	816.15	J/mol×K	596.11	Calculated Property
Cp,gas	890.91	J/mol×K	676.89	Calculated Property
Cp,gas	956.96	J/mol×K	757.67	Calculated Property
Cp,gas	1017.04	J/mol×K	838.44	Calculated Property
Cp,gas	1073.90	J/mol×K	919.22	Calculated Property
Cp,gas	1130.29	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 16Beta-hydroxymethyl-5alpha,17alpha-pregnan-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

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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