Chemical Properties of Androstan-17-one, 3-[(trifluoroacetyl)oxy]-, (3«beta»,5«alpha»)- (CAS 3959-78-2)

Androstan-17-one, 3-[(trifluoroacetyl)oxy]-, (3«beta»,5«alpha»)-

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InChI
InChI=1S/C21H29F3O3/c1-19-9-7-13(27-18(26)21(22,23)24)11-12(19)3-4-14-15-5-6-17(25)20(15,2)10-8-16(14)19/h12-16H,3-11H2,1-2H3
InChI Key
NTPCFTHVUCOBOX-UHFFFAOYSA-N
Formula
C21H29F3O3
SMILES
CC12CCC3C(CCC4CC(OC(=O)C(F)(F)F)CCC43C)C1CCC2=O
Molecular Weight1
386.45
CAS
3959-78-2
Other Names
  • 5«alpha»-Androstan-17-one, 3«beta»-hydroxy-, trifluoroacetate
  • Epiandrosterone trifluoroacetate
  • trans-Androsterone, trifluoroacetate
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Physical Properties

Property Value Unit Source
Δf -663.77 kJ/mol Joback Calculated Property
Δfgas -1226.49 kJ/mol Joback Calculated Property
Δfus 26.93 kJ/mol Joback Calculated Property
Δvap 69.28 kJ/mol Joback Calculated Property
log10WS -5.66 Crippen Calculated Property
logPoct/wat 5.072 Crippen Calculated Property
McVol 277.630 ml/mol McGowan Calculated Property
Pc 1442.44 kPa Joback Calculated Property
Inp 2489.10 NIST
Tboil 853.35 K Joback Calculated Property
Tc 1083.86 K Joback Calculated Property
Tfus 560.24 K Joback Calculated Property
Vc 1.067 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [999.23; 1152.12] J/mol×K [853.35; 1083.86] Show Hide
Cp,gas 999.23 J/mol×K 853.35 Joback Calculated Property
Cp,gas 1024.27 J/mol×K 891.77 Joback Calculated Property
Cp,gas 1049.07 J/mol×K 930.19 Joback Calculated Property
Cp,gas 1073.95 J/mol×K 968.60 Joback Calculated Property
Cp,gas 1099.21 J/mol×K 1007.02 Joback Calculated Property
Cp,gas 1125.16 J/mol×K 1045.44 Joback Calculated Property
Cp,gas 1152.12 J/mol×K 1083.86 Joback Calculated Property

Similar Compounds

Androsterone, TFA. Androsterone, trifluoroacetate. Epiandrosterone, TFA. 3«beta»-Hydroxy-5«alpha»-estran-16-one, TFA. Androsterone acetate. Trans-androsterone, acetate. trans-Androsterone, pentafluoropropionate. Androsterone, pentafluoropropionate. Trans-androsterone, propionate. 3«alpha»-Propanoyloxy-5«alpha»-androstan-17-one. Trans-androsterone, butyrate. Trans-androsterone, hexanoate. Trans-androsterone, octanoate. 5«beta»-Dihydrotestosterone, TFA. 5«alpha»-Dihydrotestosterone, TFA.

Find more compounds similar to Androstan-17-one, 3-[(trifluoroacetyl)oxy]-, (3«beta»,5«alpha»)-.

Sources

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