Chemical Properties of 5Beta-androstan-16beta-ylacetic acid lactone, 3beta,17beta-dihydroxy- (CAS 96191-75-2)

InChI

InChI=1S/C21H32O3/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/h12-17,19,22H,3-11H2,1-2H3/t12-,13-,14+,15-,16+,17+,19+,20+,21+/m0/s1

InChI Key

TWLWASBVSWBNCK-WVUNLQOWSA-N

Formula

C21H32O3

SMILES

CC12CCC(O)CC1CCC1C2CCC2(C)C1CC1CC(=O)OC12

Molecular Weight¹

332.48

CAS

96191-75-2

• 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	[1022.23; 1197.24]	J/mol×K	[903.68; 1141.33]
Cp,gas	1022.23	J/mol×K	903.68	Joback Calculated Property
Cp,gas	1049.39	J/mol×K	943.29	Joback Calculated Property
Cp,gas	1076.88	J/mol×K	982.90	Joback Calculated Property
Cp,gas	1105.05	J/mol×K	1022.50	Joback Calculated Property
Cp,gas	1134.27	J/mol×K	1062.11	Joback Calculated Property
Cp,gas	1164.88	J/mol×K	1101.72	Joback Calculated Property
Cp,gas	1197.24	J/mol×K	1141.33	Joback Calculated Property

Similar Compounds

Find more compounds similar to 5Beta-androstan-16beta-ylacetic acid lactone, 3beta,17beta-dihydroxy-.

Sources

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

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