Chemical Properties of 5-«alpha»-Pregnan-3-«beta»,20-«beta»-diol, TFA

5-«alpha»-Pregnan-3-«beta»,20-«beta»-diol, TFA

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InChI
InChI=1S/C25H34F6O4/c1-13(34-20(32)24(26,27)28)17-6-7-18-16-5-4-14-12-15(35-21(33)25(29,30)31)8-10-22(14,2)19(16)9-11-23(17,18)3/h13-19H,4-12H2,1-3H3/t13-,14-,15-,16?,17+,18?,19?,22-,23+/m1/s1
InChI Key
ZYWWYWQPOLCWDY-ZMNIESCKSA-N
Formula
C25H34F6O4
SMILES
CC(OC(=O)C(F)(F)F)C1CCC2C3CCC4CC(OC(=O)C(F)(F)F)CCC4(C)C3CCC12C
Molecular Weight1
512.53
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Physical Properties

Property Value Unit Source
Δf -1333.16 kJ/mol Joback Calculated Property
Δfgas -2038.85 kJ/mol Joback Calculated Property
Δfus 39.94 kJ/mol Joback Calculated Property
Δvap 78.65 kJ/mol Joback Calculated Property
log10WS -7.45 Crippen Calculated Property
logPoct/wat 6.613 Crippen Calculated Property
McVol 345.170 ml/mol McGowan Calculated Property
Pc 1009.73 kPa Joback Calculated Property
Inp [2504.00; 2523.00]   Show Hide
Inp 2504.00 NIST
Inp 2523.00 NIST
Tboil 942.81 K Joback Calculated Property
Tc 1159.83 K Joback Calculated Property
Tfus 594.21 K Joback Calculated Property
Vc 1.343 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1297.92; 1464.71] J/mol×K [942.81; 1159.83] Show Hide
Cp,gas 1297.92 J/mol×K 942.81 Joback Calculated Property
Cp,gas 1323.94 J/mol×K 978.98 Joback Calculated Property
Cp,gas 1350.26 J/mol×K 1015.15 Joback Calculated Property
Cp,gas 1377.20 J/mol×K 1051.32 Joback Calculated Property
Cp,gas 1405.06 J/mol×K 1087.49 Joback Calculated Property
Cp,gas 1434.12 J/mol×K 1123.66 Joback Calculated Property
Cp,gas 1464.71 J/mol×K 1159.83 Joback Calculated Property

Similar Compounds

5-«beta»-Pregnan-3-«beta»,20-«beta»-diol, TFA. 5-«beta»-Pregnan-3-«alpha»,20-«alpha»-diol, TFA. 5«beta»-Pregnane-3«alpha»,20«alpha»-diol, bis(trifluoroacetate). 5-«alpha»-Pregnan-3-«beta»,20-«alpha»-diol, TFA. 5-«alpha»-Pregnan-3-«alpha»,20-«beta»-diol, TFA. 5-«alpha»-Pregnan-3-«alpha»,20-«alpha»-diol, TFA. 5-«beta»-Pregnan-3-«beta»,20-«alpha»-diol, TFA. Pregnanediol, TFA. 5-«alpha»-Androstan-7-«alpha»,17-«beta»-diol, TFA. 5-«alpha»-Androstan-7-«beta»,17-«beta»-diol, TFA. 5-«alpha»-Androstan-3-«alpha»,17-«alpha»-diol, TFA. 5-«beta»-Androstan-3-«alpha»,17-«beta»-diol, TFA. 5-«beta»-Androstan-3-«beta»,17-«alpha»-diol, TFA. 5-«beta»-Androstan-3-«beta»,17-«beta»-diol, TFA. 5-«beta»-Androstan-3-«alpha»,17-«alpha»-diol, TFA.

Find more compounds similar to 5-«alpha»-Pregnan-3-«beta»,20-«beta»-diol, TFA.

Sources

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