Chemical Properties of 5-«alpha»-Pregnane-20-«alpha»,21-diol

InChI

InChI=1S/C21H36O2/c1-20-11-4-3-5-14(20)6-7-15-16-8-9-18(19(23)13-22)21(16,2)12-10-17(15)20/h14-19,22-23H,3-13H2,1-2H3/t14-,15?,16?,17?,18?,19+,20+,21+/m0/s1

InChI Key

QUQBOXYLXZAONE-NCDZKJBVSA-N

Formula

C21H36O2

SMILES

CC12CCCCC1CCC1C2CCC2(C)C(C(O)CO)CCC12

Molecular Weight¹

320.51

• 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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1032.05; 1191.26]	J/mol×K	[898.58; 1114.14]
Cp,gas	1032.05	J/mol×K	898.58	Joback Calculated Property
Cp,gas	1056.87	J/mol×K	934.51	Joback Calculated Property
Cp,gas	1081.99	J/mol×K	970.43	Joback Calculated Property
Cp,gas	1107.71	J/mol×K	1006.36	Joback Calculated Property
Cp,gas	1134.30	J/mol×K	1042.29	Joback Calculated Property
Cp,gas	1162.06	J/mol×K	1078.21	Joback Calculated Property
Cp,gas	1191.26	J/mol×K	1114.14	Joback Calculated Property

Similar Compounds

Find more compounds similar to 5-«alpha»-Pregnane-20-«alpha»,21-diol.

Sources

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

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