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

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

InChI
InChI=1S/C29H34F14O4/c1-13(46-20(44)24(30,31)26(34,35)28(38,39)40)17-6-7-18-16-5-4-14-12-15(8-10-22(14,2)19(16)9-11-23(17,18)3)47-21(45)25(32,33)27(36,37)29(41,42)43/h13-19H,4-12H2,1-3H3/t13-,14-,15+,16?,17-,18?,19?,22+,23-/m0/s1
InChI Key
KPANXDBYARJMLI-XFLURCESSA-N
Formula
C29H34F14O4
SMILES
CC(OC(=O)C(F)(F)C(F)(F)C(F)(F)F)C1CCC2C3CCC4CC(OC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC4(C)C3CCC12C
Molecular Weight1
712.56
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Physical Properties

Property Value Unit Source
ΔfusH° 45.28 kJ/mol Joback Calculated Property
logPoct/wat 9.155 Crippen Calculated Property
McVol 415.690 ml/mol McGowan Calculated Property
Inp [2568.00; 2573.00]   Show Hide
Inp 2568.00 NIST
Inp 2573.00 NIST
Inp 2568.00 NIST
Tfus 397.63 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 [1620.11; 1839.38] J/mol×K [1015.57; 1247.63] Show Hide
Cp,gas 1620.11 J/mol×K 1015.57 Joback Calculated Property
Cp,gas 1651.06 J/mol×K 1054.25 Joback Calculated Property
Cp,gas 1683.58 J/mol×K 1092.92 Joback Calculated Property
Cp,gas 1718.17 J/mol×K 1131.60 Joback Calculated Property
Cp,gas 1755.33 J/mol×K 1170.28 Joback Calculated Property
Cp,gas 1795.57 J/mol×K 1208.96 Joback Calculated Property
Cp,gas 1839.38 J/mol×K 1247.63 Joback Calculated Property

Similar Compounds

5-«beta»-Pregnan-3-«beta»,20-«beta»-diol, HFB. 5-«alpha»-Pregnan-3-«alpha»,20-«beta»-diol, HFB. 5-«alpha»-Pregnan-3-«alpha»,20-«alpha»-diol, HFB. 5-«alpha»-Pregnan-3-«beta»,20-«alpha»-diol, HFB. 5-«beta»-Pregnan-3-«alpha»,20-«beta»-diol, HFB. 5-«alpha»-Pregnan-3-«beta»,20-«beta»-diol, HFB. Menthol, heptafluorobutanoate. 5-«beta»-Androstan-3-«alpha»,17-«beta»-diol, HFB. 5-«beta»-Androstan-3-«beta»,17-«beta»-diol, HFB. 5-«alpha»-Androstan-3-«beta»,17-«alpha»-diol, HFB. 5-«beta»-Androstan-3-«beta»,17-«alpha»-diol, HFB. 5-«alpha»-Androstan-3-«alpha»,17-«alpha»-diol, HFB. 5-«beta»-Androstan-3-«alpha»,17-«alpha»-diol, HFB. 5-«alpha»-Androstan-3-«beta»,17-«beta»-diol, HFB. 5-«alpha»-Androstan-3-«alpha»,17-«beta»-diol, HFB.

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

Sources

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