Chemical Properties of Testosterone, 3-TFA, 17.beta.-Ac

Testosterone, 3-TFA, 17.beta.-Ac

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InChI
InChI=1S/C23H29F3O4/c1-13(27)29-19-7-6-17-16-5-4-14-12-15(30-20(28)23(24,25)26)8-10-21(14,2)18(16)9-11-22(17,19)3/h8,12,16-19H,4-7,9-11H2,1-3H3/t16?,17?,18?,19-,21-,22-/m1/s1
InChI Key
PHVSTCDRRTYTLL-QTJPOHIASA-N
Formula
C23H29F3O4
SMILES
CC(=O)OC1CCC2C3CCC4=CC(OC(=O)C(F)(F)F)=CCC4(C)C3CCC12C
Molecular Weight1
426.47
Sources

Physical Properties

Property Value Unit Source
Δf -709.89 kJ/mol Joback Calculated Property
Δfgas -1261.91 kJ/mol Joback Calculated Property
Δfus 35.98 kJ/mol Joback Calculated Property
Δvap 80.86 kJ/mol Joback Calculated Property
logPoct/wat 5.48 Crippen Calculated Property
Pc 1332.96 kPa Joback Calculated Property
Tboil 920.53 K Joback Calculated Property
Tc 1146.67 K Joback Calculated Property
Tfus 617.52 K Joback Calculated Property
Vc 1.17 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1079.11 J/mol×K 920.53 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
-CH3 3
=CH- (ring) 2
=C< (ring) 2
-F 3
>C< 1
>C< (ring) 2
>C=O (nonring) 2
>CH- (ring) 4
-CH2- (ring) 7

Similar Compounds

Testosterone, 3,17.beta.-bisTFA. Testosterone, 3,17.beta.-bisAc. Testosterone, 3-chlorodifluoroacetate, 17.beta.-Ac. Testosterone, 3,17.beta.-bis-chlorodifluoroacetate. Testosterone, 3-pentafluoropionate, 17.beta.-Ac. Testosterone, 3,17.beta.-bispentafluoropropionate. Testosterone, 3-TFA, 17.beta.-HFB. Testosterone, 3-HFB, 17.beta.-TFA. Androsta-2,4-diene-3,17-diol, 17-acetate 3-(2,2,3,3,4,4,4-heptafluorobutanoate), (17«beta»)-. Epi-testosterone, 3-HFB, 17«beta»-Ac. Testosterone, 3-HFB, 17.beta.-monochloacetate. Testosterone, 3-Ac, 17.beta.-HFB. Testosterone, 3-HFB, 17.beta.-pentafluoropropionate. Testosterone, 3-pentafluoropropionate, 17.beta.-HFB. Testosterone, 3-chlorodifluoroacetate, 17.beta.-HFBate.

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