Chemical Properties of 3«alpha»-hydroxy-5«alpha»-androstane-17-one

InChI

InChI=1S/C17H26O2/c18-11-2-4-12-10(9-11)1-3-14-13(12)5-6-16-15(14)7-8-17(16)19/h10-16,18H,1-9H2/t10-,11+,12?,13?,14?,15?,16?/m1/s1

InChI Key

VAAOCLICQGAZPU-JBBLNQKSSA-N

Formula

C17H26O2

SMILES

O=C1CCC2C1CCC1C3CCC(O)CC3CCC21

Molecular Weight¹

262.39

• 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°	-7.78	kJ/mol	Joback Calculated Property
ΔfH°gas	-484.76	kJ/mol	Joback Calculated Property
ΔfusH°	28.64	kJ/mol	Joback Calculated Property
ΔvapH°	73.95	kJ/mol	Joback Calculated Property
log10WS	-3.72		Crippen Calculated Property
logPoct/wat	3.179		Crippen Calculated Property
McVol	214.390	ml/mol	McGowan Calculated Property
Pc	2110.00	kPa	Joback Calculated Property
Inp	[2532.00; 2532.00]
Inp	2532.00		NIST
Inp	2532.00		NIST
Tboil	782.66	K	Joback Calculated Property
Tc	1009.96	K	Joback Calculated Property
Tfus	451.83	K	Joback Calculated Property
Vc	0.798	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[758.53; 865.68]	J/mol×K	[782.66; 1009.96]
Cp,gas	758.53	J/mol×K	782.66	Joback Calculated Property
Cp,gas	780.07	J/mol×K	820.54	Joback Calculated Property
Cp,gas	800.04	J/mol×K	858.43	Joback Calculated Property
Cp,gas	818.50	J/mol×K	896.31	Joback Calculated Property
Cp,gas	835.54	J/mol×K	934.19	Joback Calculated Property
Cp,gas	851.24	J/mol×K	972.07	Joback Calculated Property
Cp,gas	865.68	J/mol×K	1009.96	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3«alpha»-hydroxy-5«alpha»-androstane-17-one.

Sources

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

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