Chemical Properties of Pregn-4-ene-3,20-dione, 9alpha-fluoro-11,17alpha,21-trihydroxy-, 21- acetate

InChI

InChI=1S/C23H31FO6/c1-13(25)30-12-19(28)22(29)9-7-16-17-5-4-14-10-15(26)6-8-20(14,2)23(17,24)18(27)11-21(16,22)3/h10,16-18,27,29H,4-9,11-12H2,1-3H3

InChI Key

SYWHXTATXSMDSB-UHFFFAOYSA-N

Formula

C23H31FO6

SMILES

CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3(F)C(O)CC21C

Molecular Weight¹

422.49

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1347.86; 1798.65]	J/mol×K	[1146.65; 1403.87]
Cp,gas	1347.86	J/mol×K	1146.65	Joback Calculated Property
Cp,gas	1405.29	J/mol×K	1189.52	Joback Calculated Property
Cp,gas	1468.90	J/mol×K	1232.39	Joback Calculated Property
Cp,gas	1539.36	J/mol×K	1275.26	Joback Calculated Property
Cp,gas	1617.35	J/mol×K	1318.13	Joback Calculated Property
Cp,gas	1703.56	J/mol×K	1361.00	Joback Calculated Property
Cp,gas	1798.65	J/mol×K	1403.87	Joback Calculated Property

Similar Compounds

Find more compounds similar to Pregn-4-ene-3,20-dione, 9alpha-fluoro-11,17alpha,21-trihydroxy-, 21- acetate.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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