Chemical Properties of 2Alpha-fluoro-17beta-hydroxy-5alpha-androstan-3-one

InChI

InChI=1S/C19H29FO2/c1-18-8-7-14-12(13(18)5-6-17(18)22)4-3-11-9-16(21)15(20)10-19(11,14)2/h11-15,17,22H,3-10H2,1-2H3

InChI Key

QBAHMYSNLVHPJQ-UHFFFAOYSA-N

Formula

C19H29FO2

SMILES

CC12CCC3C(CCC4CC(=O)C(F)CC43C)C1CCC2O

Molecular Weight¹

308.44

• 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	[318.59; 993.57]	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			-2.69370e+02
Coefficient B			2.71974e+00
Coefficient C			-2.30500e-03
Coefficient D			8.48200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	318.59	J/mol×K	273.00	Calculated Property
Cp,gas	441.88	J/mol×K	353.78	Calculated Property
Cp,gas	546.84	J/mol×K	434.56	Calculated Property
Cp,gas	636.15	J/mol×K	515.33	Calculated Property
Cp,gas	712.49	J/mol×K	596.11	Calculated Property
Cp,gas	778.55	J/mol×K	676.89	Calculated Property
Cp,gas	837.00	J/mol×K	757.67	Calculated Property
Cp,gas	890.53	J/mol×K	838.44	Calculated Property
Cp,gas	941.83	J/mol×K	919.22	Calculated Property
Cp,gas	993.57	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2Alpha-fluoro-17beta-hydroxy-5alpha-androstan-3-one.

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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