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

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

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InChI
InChI=1S/C24H29F5O4/c1-13(30)32-19-7-6-17-16-5-4-14-12-15(33-20(31)23(25,26)24(27,28)29)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
UTCLHGGWRHENBF-QTJPOHIASA-N
Formula
C24H29F5O4
SMILES
CC(=O)OC1CCC2C3CCC4=CC(OC(=O)C(F)(F)C(F)(F)F)=CCC4(C)C3CCC12C
Molecular Weight1
476.48
Sources

Physical Properties

Property Value Unit Source
Δf -1088.25 kJ/mol Joback Calculated Property
Δfgas -1683.52 kJ/mol Joback Calculated Property
Δfus 37.31 kJ/mol Joback Calculated Property
Δvap 80.15 kJ/mol Joback Calculated Property
logPoct/wat 6.12 Crippen Calculated Property
Pc 1184.16 kPa Joback Calculated Property
Tboil 938.72 K Joback Calculated Property
Tc 1160.64 K Joback Calculated Property
Tfus 632.39 K Joback Calculated Property
Vc 1.25 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1157.36 J/mol×K 938.72 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
-F 5
=CH- (ring) 2
=C< (ring) 2
>C< 2
-CH3 3
>C< (ring) 2
>C=O (nonring) 2
>CH- (ring) 4
-CH2- (ring) 7

Similar Compounds

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

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