Chemical Properties of Androstenedione (CAS 63-05-8)

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/t14?,15?,16?,18-,19-/m1/s1

InChI Key

AEMFNILZOJDQLW-JRCHKSGSSA-N

Formula

C19H26O2

SMILES

CC12CCC3C(CCC4=CC(=O)CCC43C)C1CCC2=O

Molecular Weight¹

286.41

CAS

63-05-8

Other Names

• 3,17-Dioxoandrost-4-ene
• 4-Androsten-3,17-dione
• 4-Androsten-3,7-dione
• 4-Androstene-3,17-dione
• Androstenedione AS 181
• NSC 9563
• SKF 2170
• androst-4-ene-3,17-dione
• «delta»(Sup4)-Androstene-3,17-dione
• «delta»-(sup4)-Androsten-3,17-dione
• «delta»4-Androsten-3,17-dione
• «delta»4-Androstene-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

Property	Value	Unit	Source
ΔcH°solid	-10760.00 ± 30.00	kJ/mol	NIST
ΔfusH°	25.70	kJ/mol	Solubility of androstenedione in lower alcohols
log10WS	-4.56		Relay (1.0) Calculated Property
logPoct/wat	4.087		Crippen Calculated Property
McVol	233.970	ml/mol	McGowan Calculated Property
Inp	[2497.00; 2505.00]
Inp	2505.00		NIST
Inp	2497.00		NIST
Inp	2505.00		NIST
Tfus	411.92	K	Relay (1.0) Calculated Property

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 Androstenedione.

Mixtures

• Androstenedione + Methyl Alcohol
• Ethanol + Androstenedione
• 2-Propanol + Androstenedione
• 1-Butanol + Androstenedione

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
• Solubility of androstenedione in lower alcohols
• Joback Method
• McGowan Method
• NIST Webbook

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