Chemical Properties of 5-«beta»-Androstan-3-«alpha»,17-«beta»-diol, TFA

5-«beta»-Androstan-3-«alpha»,17-«beta»-diol, TFA

InChI
InChI=1S/C23H30F6O4/c1-20-9-7-13(32-18(30)22(24,25)26)11-12(20)3-4-14-15-5-6-17(33-19(31)23(27,28)29)21(15,2)10-8-16(14)20/h12-17H,3-11H2,1-2H3/t12-,13-,14?,15?,16?,17+,20+,21+/m0/s1
InChI Key
NXQFDYRIAIABNB-RLJSYUIZSA-N
Formula
C23H30F6O4
SMILES
CC12CCC(OC(=O)C(F)(F)F)CC1CCC1C2CCC2(C)C(OC(=O)C(F)(F)F)CCC12
Molecular Weight1
484.47
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Physical Properties

Property Value Unit Source
ΔfusH° 41.44 kJ/mol Joback Calculated Property
logPoct/wat 5.977 Crippen Calculated Property
McVol 316.990 ml/mol McGowan Calculated Property
Inp [2296.00; 2309.00]   Show Hide
Inp 2296.00 NIST
Inp 2308.00 NIST
Inp 2309.00 NIST
Tfus 381.67 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 [1146.29; 1283.88] J/mol×K [861.55; 1069.63] Show Hide
Cp,gas 1146.29 J/mol×K 861.55 Joback Calculated Property
Cp,gas 1169.13 J/mol×K 896.23 Joback Calculated Property
Cp,gas 1191.66 J/mol×K 930.91 Joback Calculated Property
Cp,gas 1214.13 J/mol×K 965.59 Joback Calculated Property
Cp,gas 1236.82 J/mol×K 1000.27 Joback Calculated Property
Cp,gas 1259.98 J/mol×K 1034.95 Joback Calculated Property
Cp,gas 1283.88 J/mol×K 1069.63 Joback Calculated Property

Similar Compounds

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

Find more compounds similar to 5-«beta»-Androstan-3-«alpha»,17-«beta»-diol, TFA.

Sources

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