Chemical Properties of 5-Androstene-3beta,17beta-diol,16beta-ylacetic acid, lactone (CAS 10458-98-7)

InChI

InChI=1S/C21H30O3/c1-20-7-5-14(22)11-13(20)3-4-15-16(20)6-8-21(2)17(15)9-12-10-18(23)24-19(12)21/h3,12,14-17,19,22H,4-11H2,1-2H3

InChI Key

UHRRKAOLVBHHLU-UHFFFAOYSA-N

Formula

C21H30O3

SMILES

CC12CCC(O)CC1=CCC1C2CCC2(C)C1CC1CC(=O)OC12

Molecular Weight¹

330.46

CAS

10458-98-7

• 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).
• 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	[989.17; 1163.99]	J/mol×K	[912.49; 1152.32]
Cp,gas	989.17	J/mol×K	912.49	Joback Calculated Property
Cp,gas	1015.67	J/mol×K	952.46	Joback Calculated Property
Cp,gas	1042.72	J/mol×K	992.43	Joback Calculated Property
Cp,gas	1070.72	J/mol×K	1032.40	Joback Calculated Property
Cp,gas	1100.01	J/mol×K	1072.37	Joback Calculated Property
Cp,gas	1130.98	J/mol×K	1112.35	Joback Calculated Property
Cp,gas	1163.99	J/mol×K	1152.32	Joback Calculated Property

Similar Compounds

Find more compounds similar to 5-Androstene-3beta,17beta-diol,16beta-ylacetic acid, lactone.

Sources

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

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