Chemical Properties of 17-«beta»-Hydroxy-17-«alpha»-methyl-5-«beta»-androstan-3-one (CAS 3275-58-9)

InChI

InChI=1S/C20H32O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h13,15-17,22H,4-12H2,1-3H3/t13-,15?,16?,17?,18?,19?,20+/m0/s1

InChI Key

WYZDXEKUWRCKOB-IEXXVWDTSA-N

Formula

C20H32O2

SMILES

CC12CCC(=O)CC1CCC1C2CCC2(C)C1CCC2(C)O

Molecular Weight¹

304.47

CAS

3275-58-9

Other Names

• 5B-Androstan-3-on-17B-ol, 17A-methyl

• 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°	1.01	kJ/mol	Joback Calculated Property
ΔfH°gas	-500.96	kJ/mol	Joback Calculated Property
ΔfusH°	17.51	kJ/mol	Joback Calculated Property
ΔvapH°	77.17	kJ/mol	Joback Calculated Property
log10WS	-4.98		Crippen Calculated Property
logPoct/wat	4.349		Crippen Calculated Property
McVol	256.660	ml/mol	McGowan Calculated Property
Pc	1841.99	kPa	Joback Calculated Property
Inp	[2480.00; 2565.00]
Inp	2480.00		NIST
Inp	2565.00		NIST
Inp	2480.00		NIST
Tboil	852.02	K	Joback Calculated Property
Tc	1089.40	K	Joback Calculated Property
Tfus	557.34	K	Joback Calculated Property
Vc	0.961	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[929.72; 1116.14]	J/mol×K	[852.02; 1089.40]
Cp,gas	929.72	J/mol×K	852.02	Joback Calculated Property
Cp,gas	957.55	J/mol×K	891.58	Joback Calculated Property
Cp,gas	986.09	J/mol×K	931.15	Joback Calculated Property
Cp,gas	1015.78	J/mol×K	970.71	Joback Calculated Property
Cp,gas	1047.06	J/mol×K	1010.27	Joback Calculated Property
Cp,gas	1080.37	J/mol×K	1049.84	Joback Calculated Property
Cp,gas	1116.14	J/mol×K	1089.40	Joback Calculated Property

Similar Compounds

Find more compounds similar to 17-«beta»-Hydroxy-17-«alpha»-methyl-5-«beta»-androstan-3-one.

Sources

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

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