Chemical Properties of trans-Dehydroandrosterone, trifluoroacetate

trans-Dehydroandrosterone, trifluoroacetate

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InChI
InChI=1S/C21H27F3O3/c1-19-9-7-13(27-18(26)21(22,23)24)11-12(19)3-4-14-15-5-6-17(25)20(15,2)10-8-16(14)19/h3,13-16H,4-11H2,1-2H3
InChI Key
DDDJCSCTQYHRFY-UHFFFAOYSA-N
Formula
C21H27F3O3
SMILES
CC12CCC3C(CC=C4CC(OC(=O)C(F)(F)F)CCC43C)C1CCC2=O
Molecular Weight1
384.43
Sources

Physical Properties

Property Value Unit Source
Δf -635.73 kJ/mol Joback Calculated Property
Δfgas -1159.84 kJ/mol Joback Calculated Property
Δfus 26.69 kJ/mol Joback Calculated Property
Δvap 70.54 kJ/mol Joback Calculated Property
logPoct/wat 4.99 Crippen Calculated Property
Pc 1503.48 kPa Joback Calculated Property
Tboil 862.16 K Joback Calculated Property
Tc 1094.91 K Joback Calculated Property
Tfus 577.76 K Joback Calculated Property
Vc 1.05 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 967.33 J/mol×K 862.16 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
>C=O (nonring) 1
=CH- (ring) 1
=C< (ring) 1
-F 3
>C< 1
-CH3 2
>C< (ring) 2
>C=O (ring) 1
>CH- (ring) 4
-CH2- (ring) 8

Similar Compounds

Dehydroepiandrosterone, TFA. 16«alpha»-Methylpregnenolone, TFA. 5-Pregnen-3«beta»-ol-20-one, trifluoroacetate. 3Beta-acetoxypregn-5-en-20-one. Trans-dehydroandrosterone, pentafluoropropionate. 5-Pregnen-3.beta.-ol-20-one, propionate. 5-Pregnen-3.beta.-ol-20-one, butyrate. Pregnenolone palmitate. 5-Pregnen-3.beta.-ol-20-one, hexanoate. trans-Dehydroandrosterone, methyl ether. 5-Pregnen-3-«beta»,20-«beta»-diol, TFA. 5-Pregnen-3-«beta»,20-«alpha»-diol, TFA. 5-Pregnen-3.beta.-ol-20-one, formate. 5-Androsten-3-«beta»,17-«beta»-diol, TFA. 5-Androsten-3-«alpha»,17-«beta»-diol, TFA.

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