Chemical Properties of 6Beta-fluoro-17beta-hydroxyandrost-4-en-3-one

InChI

InChI=1S/C19H27FO2/c1-18-7-5-11(21)9-15(18)16(20)10-12-13-3-4-17(22)19(13,2)8-6-14(12)18/h9,12-14,16-17,22H,3-8,10H2,1-2H3

InChI Key

GGQPTOITOZXLBE-UHFFFAOYSA-N

Formula

C19H27FO2

SMILES

CC12CCC(=O)C=C1C(F)CC1C2CCC2(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	[312.40; 952.57]	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			-2.53230e+02
Coefficient B			2.63074e+00
Coefficient C			-2.28064e-03
Coefficient D			8.55700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	312.40	J/mol×K	273.00	Calculated Property
Cp,gas	429.91	J/mol×K	353.78	Calculated Property
Cp,gas	529.52	J/mol×K	434.56	Calculated Property
Cp,gas	613.92	J/mol×K	515.33	Calculated Property
Cp,gas	685.82	J/mol×K	596.11	Calculated Property
Cp,gas	747.93	J/mol×K	676.89	Calculated Property
Cp,gas	802.96	J/mol×K	757.67	Calculated Property
Cp,gas	853.60	J/mol×K	838.44	Calculated Property
Cp,gas	902.57	J/mol×K	919.22	Calculated Property
Cp,gas	952.57	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 6Beta-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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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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