Chemical Properties of Androst-16-en-3-one, (5«alpha»)- (CAS 18339-16-7)

InChI

InChI=1S/C19H28O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h3,9,13,15-17H,4-8,10-12H2,1-2H3/t13-,15-,16-,17-,18-,19-/m1/s1

InChI Key

HFVMLYAGWXSTQI-NKOUSSCVSA-N

Formula

C19H28O

SMILES

CC12C=CCC1C1CCC3CC(=O)CCC3(C)C1CC2

Molecular Weight¹

272.43

CAS

18339-16-7

Other Names

• 5«alpha»-Androst-16-en-3-one
• Androst-16-en-3-one
• 5«alpha»-Androstenone
• Androstenone

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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).
• P_c : Critical Pressure (kPa).
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[763.73; 921.40]	J/mol×K	[740.55; 997.16]
Cp,gas	763.73	J/mol×K	740.55	Joback Calculated Property
Cp,gas	790.96	J/mol×K	783.32	Joback Calculated Property
Cp,gas	817.25	J/mol×K	826.09	Joback Calculated Property
Cp,gas	843.02	J/mol×K	868.86	Joback Calculated Property
Cp,gas	868.69	J/mol×K	911.62	Joback Calculated Property
Cp,gas	894.67	J/mol×K	954.39	Joback Calculated Property
Cp,gas	921.40	J/mol×K	997.16	Joback Calculated Property

Similar Compounds

Find more compounds similar to Androst-16-en-3-one, (5«alpha»)-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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