Chemical Properties of 5«beta»-Pregnane-3«alpha»,20«alpha»-diol, bis(pentafluoropropionate)

5«beta»-Pregnane-3«alpha»,20«alpha»-diol, bis(pentafluoropropionate)

InChI
InChI=1S/C27H34F10O4/c1-13(40-20(38)24(28,29)26(32,33)34)17-6-7-18-16-5-4-14-12-15(41-21(39)25(30,31)27(35,36)37)8-10-22(14,2)19(16)9-11-23(17,18)3/h13-19H,4-12H2,1-3H3
InChI Key
VEMXZGRZAVUCLD-UHFFFAOYSA-N
Formula
C27H34F10O4
SMILES
CC(OC(=O)C(F)(F)C(F)(F)F)C1CCC2C3CCC4CC(OC(=O)C(F)(F)C(F)(F)F)CCC4(C)C3CCC12C
Molecular Weight1
612.54
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Physical Properties

Property Value Unit Source
ΔfusH° 45.77 kJ/mol Joback Calculated Property
logPoct/wat 7.884 Crippen Calculated Property
McVol 380.430 ml/mol McGowan Calculated Property
Inp 2485.70 NIST
Tfus 398.44 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 [1434.09; 1596.96] J/mol×K [943.25; 1155.27] Show Hide
Cp,gas 1434.09 J/mol×K 943.25 Joback Calculated Property
Cp,gas 1459.33 J/mol×K 978.59 Joback Calculated Property
Cp,gas 1484.89 J/mol×K 1013.92 Joback Calculated Property
Cp,gas 1511.09 J/mol×K 1049.26 Joback Calculated Property
Cp,gas 1538.28 J/mol×K 1084.60 Joback Calculated Property
Cp,gas 1566.79 J/mol×K 1119.93 Joback Calculated Property
Cp,gas 1596.96 J/mol×K 1155.27 Joback Calculated Property

Similar Compounds

5«beta»-Cholestan-3«alpha»-ol, pentafluoropropionate. Stigmastanol, pentafluoropropionate. 5«alpha»-Androstane-3«beta»,17«beta»-diol, bis(pentafluoropropionate). 5«alpha»-Androstane-3«alpha»,17«beta»-diol, bis(pentafluoropropionate). Borneol, pentafluoropropionate. 5-«beta»-Pregnan-3-«beta»,20-«alpha»-diol, HFB. 5-«alpha»-Pregnan-3-«alpha»,20-«alpha»-diol, HFB. 5-«beta»-Pregnan-3-«alpha»,20-«beta»-diol, HFB. 5-«alpha»-Pregnan-3-«beta»,20-«beta»-diol, HFB. 5-«beta»-Pregnan-3-«beta»,20-«beta»-diol, HFB. 5-«alpha»-Pregnan-3-«beta»,20-«alpha»-diol, HFB. 5-«alpha»-Pregnan-3-«alpha»,20-«beta»-diol, HFB. 5«beta»-Pregnane-3«alpha»,20«alpha»-diol, bis(trifluoroacetate). 5-«beta»-Pregnan-3-«beta»,20-«beta»-diol, TFA. 5-«alpha»-Pregnan-3-«alpha»,20-«alpha»-diol, TFA.

Find more compounds similar to 5«beta»-Pregnane-3«alpha»,20«alpha»-diol, bis(pentafluoropropionate).

Sources

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