Chemical Properties of Androstane-3,17-dione, (5«alpha»)- (CAS 846-46-8)

InChI

InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-16H,3-11H2,1-2H3/t12-,14?,15?,16?,18?,19?/m1/s1

InChI Key

RAJWOBJTTGJROA-BQWQYDDZSA-N

Formula

C19H28O2

SMILES

CC12CCC3C(CCC4CC(=O)CCC43C)C1CCC2=O

Molecular Weight¹

288.42

CAS

846-46-8

Other Names

• 5«alpha»-Androstane-3,17-dione
• Androstane-3,17-dione
• 5«alpha»-Androsta-3,17-dione
• 5«alpha»-Androstanedione
• 5«alpha»-Androstan-3,17-dione

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• 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

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	[299.73; 953.64]	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			-2.56200e+02
Coefficient B			2.55864e+00
Coefficient C			-2.12500e-03
Coefficient D			7.76200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	299.73	J/mol×K	273.00	Calculated Property
Cp,gas	417.40	J/mol×K	353.78	Calculated Property
Cp,gas	518.08	J/mol×K	434.56	Calculated Property
Cp,gas	604.25	J/mol×K	515.33	Calculated Property
Cp,gas	678.34	J/mol×K	596.11	Calculated Property
Cp,gas	742.81	J/mol×K	676.89	Calculated Property
Cp,gas	800.13	J/mol×K	757.67	Calculated Property
Cp,gas	852.73	J/mol×K	838.44	Calculated Property
Cp,gas	903.08	J/mol×K	919.22	Calculated Property
Cp,gas	953.64	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Androstane-3,17-dione, (5«alpha»)-.

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.
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