Chemical Properties of 5Alpha-androsta-1-ene-3,11,17-trione

InChI

InChI=1S/C19H24O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h7-8,11,13-14,17H,3-6,9-10H2,1-2H3

InChI Key

NYLSQMMWVJMFFO-UHFFFAOYSA-N

Formula

C19H24O3

SMILES

CC12CC(=O)C3C(CCC4CC(=O)C=CC43C)C1CCC2=O

Molecular Weight¹

300.40

• 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	[299.62; 921.47]	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			-2.11990e+02
Coefficient B			2.33434e+00
Coefficient C			-1.86828e-03
Coefficient D			6.67400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	299.62	J/mol×K	273.00	Calculated Property
Cp,gas	409.57	J/mol×K	353.78	Calculated Property
Cp,gas	504.37	J/mol×K	434.56	Calculated Property
Cp,gas	586.15	J/mol×K	515.33	Calculated Property
Cp,gas	657.02	J/mol×K	596.11	Calculated Property
Cp,gas	719.08	J/mol×K	676.89	Calculated Property
Cp,gas	774.44	J/mol×K	757.67	Calculated Property
Cp,gas	825.22	J/mol×K	838.44	Calculated Property
Cp,gas	873.53	J/mol×K	919.22	Calculated Property
Cp,gas	921.47	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 5Alpha-androsta-1-ene-3,11,17-trione.

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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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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