Chemical Properties of Androsta-4-ene-3,17-dione, 1alpha-deuterio-

InChI

InChI=1S/C19H26O2/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/h11,14-16H,3-10H2,1-2H3/i9D

InChI Key

AEMFNILZOJDQLW-QOWOAITPSA-N

Formula

C19H26O2

SMILES

[2H]C1CC(=O)C=C2CCC3C4CCC(=O)C4(C)CCC3C21C

Molecular Weight¹

287.42

• 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	[293.54; 912.64]	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			-2.40060e+02
Coefficient B			2.46964e+00
Coefficient C			-2.10064e-03
Coefficient D			7.83700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	293.54	J/mol×K	273.00	Calculated Property
Cp,gas	405.43	J/mol×K	353.78	Calculated Property
Cp,gas	500.77	J/mol×K	434.56	Calculated Property
Cp,gas	582.02	J/mol×K	515.33	Calculated Property
Cp,gas	651.67	J/mol×K	596.11	Calculated Property
Cp,gas	712.20	J/mol×K	676.89	Calculated Property
Cp,gas	766.08	J/mol×K	757.67	Calculated Property
Cp,gas	815.80	J/mol×K	838.44	Calculated Property
Cp,gas	863.82	J/mol×K	919.22	Calculated Property
Cp,gas	912.64	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Androsta-4-ene-3,17-dione, 1alpha-deuterio-.

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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