Chemical Properties of 17-«alpha»-Methyl-5-«beta»-androstan-3-«alpha»,17-«beta»-diol

InChI

InChI=1S/C20H34O2/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/h13-17,21-22H,4-12H2,1-3H3/t13-,14?,15?,16?,17?,18?,19?,20+/m0/s1

InChI Key

QGKQXZFZOIQFBI-HKBHREBASA-N

Formula

C20H34O2

SMILES

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

Molecular Weight¹

306.48

Other Names

• 5B-Androstan-3A,17B-diol, 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°	-20.93	kJ/mol	Joback Calculated Property
ΔfH°gas	-535.83	kJ/mol	Joback Calculated Property
ΔfusH°	23.16	kJ/mol	Joback Calculated Property
ΔvapH°	89.30	kJ/mol	Joback Calculated Property
log10WS	-5.07		Crippen Calculated Property
logPoct/wat	4.141		Crippen Calculated Property
McVol	260.960	ml/mol	McGowan Calculated Property
Pc	1880.53	kPa	Joback Calculated Property
Inp	[2460.00; 2529.00]
Inp	2460.00		NIST
Inp	2529.00		NIST
Tboil	871.71	K	Joback Calculated Property
Tc	1089.20	K	Joback Calculated Property
Tfus	545.70	K	Joback Calculated Property
Vc	0.972	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[967.80; 1144.66]	J/mol×K	[871.71; 1089.20]
Cp,gas	967.80	J/mol×K	871.71	Joback Calculated Property
Cp,gas	993.94	J/mol×K	907.96	Joback Calculated Property
Cp,gas	1020.92	J/mol×K	944.21	Joback Calculated Property
Cp,gas	1049.12	J/mol×K	980.46	Joback Calculated Property
Cp,gas	1078.90	J/mol×K	1016.70	Joback Calculated Property
Cp,gas	1110.63	J/mol×K	1052.95	Joback Calculated Property
Cp,gas	1144.66	J/mol×K	1089.20	Joback Calculated Property

Similar Compounds

Find more compounds similar to 17-«alpha»-Methyl-5-«beta»-androstan-3-«alpha»,17-«beta»-diol.

Sources

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

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