Chemical Properties of Androst-2-en-17-one, (5«alpha»)- (CAS 963-75-7)

InChI

InChI=1S/C19H28O/c1-18-11-4-3-5-13(18)6-7-14-15-8-9-17(20)19(15,2)12-10-16(14)18/h3-4,13-16H,5-12H2,1-2H3/t13-,14?,15?,16?,18?,19?/m0/s1

InChI Key

ISJVDMWNISUFRJ-IHFGAHDLSA-N

Formula

C19H28O

SMILES

CC12CCC3C(CCC4CC=CCC43C)C1CCC2=O

Molecular Weight¹

272.43

CAS

963-75-7

Other Names

• 5«alpha»-Androst-2-en-17-one
• Ba 2662
• Androsterone M (-H2O)
• Androst-2-en-17-one

• 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_np : Non-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

Property	Value	Unit	Source
ΔfG°	172.57	kJ/mol	Joback Calculated Property
ΔfH°gas	-265.21	kJ/mol	Joback Calculated Property
ΔfusH°	17.28	kJ/mol	Joback Calculated Property
ΔvapH°	60.02	kJ/mol	Joback Calculated Property
log10WS	-5.04		Crippen Calculated Property
logPoct/wat	4.764		Crippen Calculated Property
McVol	232.400	ml/mol	McGowan Calculated Property
Pc	1887.08	kPa	Joback Calculated Property
Inp	[2240.00; 2240.00]
Inp	2240.00		NIST
Inp	2240.00		NIST
Inp	2240.00		NIST
Tboil	740.55	K	Joback Calculated Property
Tc	997.16	K	Joback Calculated Property
Tfus	466.35	K	Joback Calculated Property
Vc	0.875	m3/kmol	Joback Calculated Property

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-2-en-17-one, (5«alpha»)-.

Sources

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

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