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_fusH° : Enthalpy of fusion 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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[979.75; 1134.73]	J/mol×K	[858.79; 1080.49]
Cp,gas	979.75	J/mol×K	858.79	Joback Calculated Property
Cp,gas	1004.17	J/mol×K	895.74	Joback Calculated Property
Cp,gas	1028.72	J/mol×K	932.69	Joback Calculated Property
Cp,gas	1053.73	J/mol×K	969.64	Joback Calculated Property
Cp,gas	1079.51	J/mol×K	1006.59	Joback Calculated Property
Cp,gas	1106.40	J/mol×K	1043.54	Joback Calculated Property
Cp,gas	1134.73	J/mol×K	1080.49	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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