Chemical Properties of 5-«alpha»-Pregnane-17-«alpha»,20-«beta»-diol

5-«alpha»-Pregnane-17-«alpha»,20-«beta»-diol

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InChI
InChI=1S/C21H36O2/c1-14(22)21(23)13-10-18-16-8-7-15-6-4-5-11-19(15,2)17(16)9-12-20(18,21)3/h14-18,22-23H,4-13H2,1-3H3/t14-,15-,16?,17?,18?,19+,20+,21+/m0/s1
InChI Key
BSQKCQWUHCAKQY-BNWHZUCPSA-N
Formula
C21H36O2
SMILES
CC(O)C1(O)CCC2C3CCC4CCCCC4(C)C3CCC21C
Molecular Weight1
320.51
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Physical Properties

Property Value Unit Source
Δf -7.24 kJ/mol Joback Calculated Property
Δfgas -541.41 kJ/mol Joback Calculated Property
Δfus 21.16 kJ/mol Joback Calculated Property
Δvap 91.44 kJ/mol Joback Calculated Property
log10WS -5.49 Crippen Calculated Property
logPoct/wat 4.531 Crippen Calculated Property
McVol 275.050 ml/mol McGowan Calculated Property
Pc 1793.94 kPa Joback Calculated Property
Inp [2585.00; 2585.00]   Show Hide
Inp 2585.00 NIST
Inp 2585.00 NIST
Tboil 898.82 K Joback Calculated Property
Tc 1118.26 K Joback Calculated Property
Tfus 546.21 K Joback Calculated Property
Vc 1.022 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1030.73; 1221.87] J/mol×K [898.82; 1118.26] Show Hide
Cp,gas 1030.73 J/mol×K 898.82 Joback Calculated Property
Cp,gas 1058.44 J/mol×K 935.39 Joback Calculated Property
Cp,gas 1087.30 J/mol×K 971.97 Joback Calculated Property
Cp,gas 1117.68 J/mol×K 1008.54 Joback Calculated Property
Cp,gas 1149.98 J/mol×K 1045.12 Joback Calculated Property
Cp,gas 1184.58 J/mol×K 1081.69 Joback Calculated Property
Cp,gas 1221.87 J/mol×K 1118.26 Joback Calculated Property

Similar Compounds

5-«alpha»-Pregnane-17-«alpha»,20-«alpha»-diol. 5-«alpha»-Pregnane-3-«beta»,17-«alpha»,20-«alpha»-triol. Pregnane-3,17,20-triol, (3«alpha»,5«beta»,20S)-. 5-«alpha»-Pregnane-3-«beta»,17-«alpha»,20-«beta»-triol. 5-«alpha»-Pregnane-17-«alpha»,20-«beta»,21-triol. Cedrane diol. Cortol. 4-Hydroxyneomenthol. 4-Hydroxymenthol. 1,2-Cyclohexanediol, 4-methyl-1-(1-methylethyl)-, (1«alpha»,2«alpha»,4«alpha»)-. (1S,2S,3R,5S)-(+)-Pinanediol. Bicyclo(3.1.1)heptane-2,3-diol, 2,6,6-trimethyl-. 1,2-Cyclohexanediol, 1-methyl-4-(1-methylethyl)-. carane-3,4-diol. 5B-Estran-3B,17B-diol, 17A-ethyl.

Find more compounds similar to 5-«alpha»-Pregnane-17-«alpha»,20-«beta»-diol.

Sources

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