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_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 : 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.

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

• 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.
These property values are available through the Cheméo API. A free account gives you an access key.