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

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

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-/m0/s1
InChI Key
ZYWWYWQPOLCWDY-XFLURCESSA-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
ΔfusH° 39.94 kJ/mol Joback Calculated Property
logPoct/wat 6.613 Crippen Calculated Property
McVol 345.170 ml/mol McGowan Calculated Property
Inp [2464.00; 2482.00]   Show Hide
Inp 2464.00 NIST
Inp 2482.00 NIST
Inp 2464.00 NIST
Tfus 400.61 K Relay (1.0) Calculated Property

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, Log10 of Water solubility in mol/l 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 [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-«alpha»-Pregnan-3-«alpha»,20-«alpha»-diol, TFA. Pregnanediol, 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-«beta»-diol, TFA. 5-«beta»-Pregnan-3-«beta»,20-«beta»-diol, TFA. 5-«alpha»-Pregnan-3-«beta»,20-«alpha»-diol, TFA. 5-«alpha»-Pregnan-3-«alpha»,20-«beta»-diol, TFA. 5-«alpha»-Androstan-7-«alpha»,17-«beta»-diol, TFA. 5-«alpha»-Androstan-7-«beta»,17-«beta»-diol, TFA. 5-«alpha»-Androstan-3-«beta»,17-«beta»-diol, TFA. 5-«beta»-Androstan-3-«alpha»,17-«beta»-diol, TFA. 5-«alpha»-Androstan-3-«alpha»,17-«beta»-diol, TFA. 5«alpha»-Androstane-3«alpha»,17«beta»-diol, bis(trifluoroacetate). 5-«beta»-Androstan-3-«beta»,17-«alpha»-diol, TFA.

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

Sources

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