Chemical Properties of Androstan-17-ol, acetate, (5«alpha»,17«beta»)- (CAS 1236-49-3)

InChI

InChI=1S/C21H34O2/c1-14(22)23-19-10-9-17-16-8-7-15-6-4-5-12-20(15,2)18(16)11-13-21(17,19)3/h15-19H,4-13H2,1-3H3/t15-,16+,17+,18+,19+,20+,21+/m0/s1

InChI Key

QRRJQHVSHGOFLL-HOLKMYPKSA-N

Formula

C21H34O2

SMILES

CC(=O)OC1CCC2C3CCC4CCCCC4(C)C3CCC12C

Molecular Weight¹

318.49

CAS

1236-49-3

Other Names

• 5«alpha»-Androstan-17«beta»-ol, acetate
• 17«beta»-Acetoxy-5«alpha»-androstane
• 17«beta»-Hydroxy-5«alpha»-androstane acetate
• Androstan-17-yl acetate, (5«alpha»,17«beta»)-
• 17Beta-acetoxy-5alpha-androstane

• 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	[920.36; 1078.57]	J/mol×K	[773.08; 1007.65]
Cp,gas	920.36	J/mol×K	773.08	Joback Calculated Property
Cp,gas	947.74	J/mol×K	812.17	Joback Calculated Property
Cp,gas	974.27	J/mol×K	851.27	Joback Calculated Property
Cp,gas	1000.28	J/mol×K	890.36	Joback Calculated Property
Cp,gas	1026.10	J/mol×K	929.46	Joback Calculated Property
Cp,gas	1052.09	J/mol×K	968.55	Joback Calculated Property
Cp,gas	1078.57	J/mol×K	1007.65	Joback Calculated Property

Similar Compounds

Find more compounds similar to Androstan-17-ol, acetate, (5«alpha»,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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