Chemical Properties of Androstane-3,17-diol, (3«alpha»,5«beta»,17«beta»)- (CAS 1851-23-6)

InChI

InChI=1S/C19H32O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-17,20-21H,3-11H2,1-2H3/t12-,13-,14?,15?,16?,17+,18?,19?/m0/s1

InChI Key

CBMYJHIOYJEBSB-NOQCLSSLSA-N

Formula

C19H32O2

SMILES

CC12CCC3C(CCC4CC(O)CCC43C)C1CCC2O

Molecular Weight¹

292.46

CAS

1851-23-6

Other Names

• 5«beta»-Androstane-3«alpha»,17«beta»-diol
• «beta»-Androstane-3«alpha»,17«beta»-diol
• Etiocholanediol
• 3«alpha»,17«beta»-Dihydroxyetiocholane
• 5beta-Androstan-3alpha,17beta-diol
• 5B-Androstan-3A,17B-diol

• 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).
• I_np : Non-polar retention indices.
• 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	[907.30; 1050.06]	J/mol×K	[848.59; 1062.44]
Cp,gas	907.30	J/mol×K	848.59	Joback Calculated Property
Cp,gas	930.23	J/mol×K	884.23	Joback Calculated Property
Cp,gas	953.16	J/mol×K	919.87	Joback Calculated Property
Cp,gas	976.35	J/mol×K	955.52	Joback Calculated Property
Cp,gas	1000.05	J/mol×K	991.16	Joback Calculated Property
Cp,gas	1024.53	J/mol×K	1026.80	Joback Calculated Property
Cp,gas	1050.06	J/mol×K	1062.44	Joback Calculated Property

Similar Compounds

Find more compounds similar to Androstane-3,17-diol, (3«alpha»,5«beta»,17«beta»)-.

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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