Chemical Properties of 4-Fluoro-17beta-hydroxyandrost-4-en-3-one

InChI

InChI=1S/C19H27FO2/c1-18-10-8-15(21)17(20)14(18)4-3-11-12-5-6-16(22)19(12,2)9-7-13(11)18/h11-13,16,22H,3-10H2,1-2H3

InChI Key

MXMZKEJZVAOVLU-UHFFFAOYSA-N

Formula

C19H27FO2

SMILES

CC12CCC(=O)C(F)=C1CCC1C2CCC2(C)C(O)CCC12

Molecular Weight¹

306.42

• 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	[312.68; 942.87]	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			-2.44870e+02
Coefficient B			2.59774e+00
Coefficient C			-2.26900e-03
Coefficient D			8.59000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	312.68	J/mol×K	273.00	Calculated Property
Cp,gas	428.20	J/mol×K	353.78	Calculated Property
Cp,gas	526.01	J/mol×K	434.56	Calculated Property
Cp,gas	608.82	J/mol×K	515.33	Calculated Property
Cp,gas	679.35	J/mol×K	596.11	Calculated Property
Cp,gas	740.31	J/mol×K	676.89	Calculated Property
Cp,gas	794.43	J/mol×K	757.67	Calculated Property
Cp,gas	844.42	J/mol×K	838.44	Calculated Property
Cp,gas	892.99	J/mol×K	919.22	Calculated Property
Cp,gas	942.87	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 4-Fluoro-17beta-hydroxyandrost-4-en-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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