Chemical Properties of Estran-3-one, 17-hydroxy-, (5«alpha»,17«beta»)- (CAS 1434-85-1)

Estran-3-one, 17-hydroxy-, (5«alpha»,17«beta»)-

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InChI
InChI=1S/C18H28O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h11,13-17,20H,2-10H2,1H3
InChI Key
RHVBIEJVJWNXBU-UHFFFAOYSA-N
Formula
C18H28O2
SMILES
CC12CCC3C(CCC4CC(=O)CCC43)C1CCC2O
Molecular Weight1
276.41
CAS
1434-85-1
Other Names
  • 17-Hydroxyestran-3-one-, (5«alpha»,17«beta»)-
  • 19-Nor-5«alpha»-dihydrotestosterone
  • 5A-Estran-3-on-17B-ol
  • 5«alpha»-Estran-3-on-17«beta»-ol
  • 5«alpha»-Estran-3-one, 17«beta»-hydroxy-
Sources

Physical Properties

Property Value Unit Source
Δf -4.85 kJ/mol Joback Calculated Property
Δfgas -490.16 kJ/mol Joback Calculated Property
Δfus 24.93 kJ/mol Joback Calculated Property
Δvap 75.02 kJ/mol Joback Calculated Property
logPoct/wat 3.57 Crippen Calculated Property
Pc 2014.51 kPa Joback Calculated Property
Tboil 805.78 K Joback Calculated Property
Tc 1036.50 K Joback Calculated Property
Tfus 487.00 K Joback Calculated Property
Vc 0.85 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 813.75 J/mol×K 805.78 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>C=O (ring) 1
-OH (alcohol) 1
>C< (ring) 1
-CH3 1
>CH- (ring) 6
-CH2- (ring) 9

Similar Compounds

5B-Estran-3-on-17B-ol. Stanolone. Drostanolone. Estran-4-on-17B-ol. 5A-Estran-3-on-17B-ol, 17A-methyl. 5B-Estran-3-on-17B-ol, 17A-methyl. 5B-Estran-3-on-17B-ol, 17A-ethyl. 5A-Estran-3-on-17B-ol, 17A-ethyl. 17-epi-Mestanolone. 17-«beta»-Hydroxy-17-«alpha»-methyl-5-«beta»-androstan-3-one. Mestanolone. 17-«alpha»-Hydroxy-7-«alpha»,17-«alpha»-dimethyl-5-«beta»-androstan-3-one. 17-«alpha»-Hydroxy-17-«beta»-methyl-5-«beta»-androstan-3-one. 17-«beta»-Hydroxy-7-«alpha»,17-«alpha»-dimethyl-5-«beta»-androstan-3-one. Pregnan-3-one, 20-hydroxy-, (5.alpha.,20r)-.

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