Chemical Properties of Androstan-17-one, 3,11-dihydroxy-, (3.alpha.,5.beta.,11.beta.)-

InChI

InChI=1S/C19H30O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h11-15,17,20-21H,3-10H2,1-2H3/t11-,12-,13?,14?,15+,17?,18?,19?/m1/s1

InChI Key

PIXFHVWJOVNKQK-GMONTCGJSA-N

Formula

C19H30O3

SMILES

CC12C[C@H](O)C3C(CC[C@@H]4C[C@H](O)CCC34C)C1CCC2=O

Molecular Weight¹

306.45

Other Names

• 11-Hydroxyetiocholanolone
• 3«alpha»,11«beta»-Dihydroxy-5«beta»-androstan-17-one
• 5«beta»-Androstan-3«alpha»,11«beta»-diol-17-one
• hydroxyisoandrosterone

• 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[322.89; 1005.17]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-2.70170e+02
Coefficient B			2.74194e+00
Coefficient C			-2.31900e-03
Coefficient D			8.52400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	322.89	J/mol×K	273.00	Calculated Property
Cp,gas	447.37	J/mol×K	353.78	Calculated Property
Cp,gas	553.39	J/mol×K	434.56	Calculated Property
Cp,gas	643.65	J/mol×K	515.33	Calculated Property
Cp,gas	720.84	J/mol×K	596.11	Calculated Property
Cp,gas	787.66	J/mol×K	676.89	Calculated Property
Cp,gas	846.81	J/mol×K	757.67	Calculated Property
Cp,gas	900.98	J/mol×K	838.44	Calculated Property
Cp,gas	952.87	J/mol×K	919.22	Calculated Property
Cp,gas	1005.17	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Androstan-17-one, 3,11-dihydroxy-, (3.alpha.,5.beta.,11.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
• Joback Method
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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