Chemical Properties of 6Beta-hydroxyandrost-4-ene-3,17-dione (CAS 63-00-3)

InChI

InChI=1S/C19H26O3/c1-18-7-5-11(20)9-15(18)16(21)10-12-13-3-4-17(22)19(13,2)8-6-14(12)18/h9,12-14,16,21H,3-8,10H2,1-2H3/t12-,13-,14-,16+,18+,19-/m1/s1

InChI Key

WVAMBAWFDOYFOD-RITAXZTOSA-N

Formula

C19H26O3

SMILES

CC12CCC3C(CC(O)C4=CC(=O)CCC43C)C1CCC2=O

Molecular Weight¹

302.41

CAS

63-00-3

• 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	[308.30; 937.97]	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			-2.28830e+02
Coefficient B			2.47714e+00
Coefficient C			-2.07564e-03
Coefficient D			7.65300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	308.30	J/mol×K	273.00	Calculated Property
Cp,gas	421.63	J/mol×K	353.78	Calculated Property
Cp,gas	518.47	J/mol×K	434.56	Calculated Property
Cp,gas	601.23	J/mol×K	515.33	Calculated Property
Cp,gas	672.36	J/mol×K	596.11	Calculated Property
Cp,gas	734.25	J/mol×K	676.89	Calculated Property
Cp,gas	789.34	J/mol×K	757.67	Calculated Property
Cp,gas	840.04	J/mol×K	838.44	Calculated Property
Cp,gas	888.78	J/mol×K	919.22	Calculated Property
Cp,gas	937.97	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 6Beta-hydroxyandrost-4-ene-3,17-dione.

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

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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