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

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

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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-ZBNPBITDSA-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
Δf -2846.60 kJ/mol Joback Calculated Property
Δfgas -3725.29 kJ/mol Joback Calculated Property
Δfus 45.28 kJ/mol Joback Calculated Property
Δvap 75.83 kJ/mol Joback Calculated Property
log10WS -10.38 Crippen Calculated Property
logPoct/wat 9.155 Crippen Calculated Property
McVol 415.690 ml/mol McGowan Calculated Property
Pc 687.09 kPa Joback Calculated Property
Inp [2652.00; 2657.00]   Show Hide
Inp 2652.00 NIST
Inp 2657.00 NIST
Inp 2652.00 NIST
Tboil 1015.57 K Joback Calculated Property
Tc 1247.63 K Joback Calculated Property
Tfus 653.69 K Joback Calculated Property
Vc 1.667 m3/kmol Joback Calculated Property

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

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

Sources

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