Chemical Properties of Androst-5-en-16-one, 3,17-bis[(trifluoroacetyl)oxy]-, (3«beta»,17«beta»)- (CAS 56438-14-3)

InChI

InChI=1S/C23H26F6O5/c1-20-7-5-12(33-18(31)22(24,25)26)9-11(20)3-4-13-14(20)6-8-21(2)15(13)10-16(30)17(21)34-19(32)23(27,28)29/h3,12-15,17H,4-10H2,1-2H3/t12-,13+,14-,15-,17-,20-,21-/m1/s1

InChI Key

CTNWZUBGEFFWGH-VPPKIAQMSA-N

Formula

C23H26F6O5

SMILES

CC12CCC(OC(=O)C(F)(F)F)CC1=CCC1C2CCC2(C)C(OC(=O)C(F)(F)F)C(=O)CC12

Molecular Weight¹

496.44

CAS

56438-14-3

Other Names

• Androst-5-ene-3«beta»,17«beta»-diol-16-one, TFA

• 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1156.63; 1301.75]	J/mol×K	[938.18; 1159.54]
Cp,gas	1156.63	J/mol×K	938.18	Joback Calculated Property
Cp,gas	1179.33	J/mol×K	975.07	Joback Calculated Property
Cp,gas	1202.24	J/mol×K	1011.97	Joback Calculated Property
Cp,gas	1225.65	J/mol×K	1048.86	Joback Calculated Property
Cp,gas	1249.85	J/mol×K	1085.75	Joback Calculated Property
Cp,gas	1275.12	J/mol×K	1122.65	Joback Calculated Property
Cp,gas	1301.75	J/mol×K	1159.54	Joback Calculated Property

Similar Compounds

Find more compounds similar to Androst-5-en-16-one, 3,17-bis[(trifluoroacetyl)oxy]-, (3«beta»,17«beta»)-.

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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