Chemical Properties of Testosterone, 3-HFB, 17.beta.-pentadecaflorooctanoate

Testosterone, 3-HFB, 17.beta.-pentadecaflorooctanoate

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InChI
InChI=1S/C31H26F22O4/c1-20-9-7-13(56-18(54)23(34,35)25(38,39)30(48,49)50)11-12(20)3-4-14-15-5-6-17(21(15,2)10-8-16(14)20)57-19(55)22(32,33)24(36,37)26(40,41)27(42,43)28(44,45)29(46,47)31(51,52)53/h7,11,14-17H,3-6,8-10H2,1-2H3/t14?,15?,16?,17-,20-,21-/m1/s1
InChI Key
RFVFRSOMSJOGTE-FVLSIOMWSA-N
Formula
C31H26F22O4
SMILES
CC12CCC3C(CCC4=CC(OC(=O)C(F)(F)C(F)(F)C(F)(F)F)=CCC43C)C1CCC2OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
Molecular Weight1
880.50
Sources

Physical Properties

Property Value Unit Source
Δf -4318.36 kJ/mol Joback Calculated Property
Δfgas -5231.87 kJ/mol Joback Calculated Property
Δfus 48.49 kJ/mol Joback Calculated Property
Δvap 71.48 kJ/mol Joback Calculated Property
logPoct/wat 11.10 Crippen Calculated Property
Pc 569.33 kPa Joback Calculated Property
Tboil 1060.63 K Joback Calculated Property
Tc 1329.83 K Joback Calculated Property
Tfus 740.67 K Joback Calculated Property
Vc 1.86 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1738.42 J/mol×K 1060.63 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
-F 22
=CH- (ring) 2
=C< (ring) 2
>C< 10
-CH3 2
>C< (ring) 2
>C=O (nonring) 2
>CH- (ring) 4
-CH2- (ring) 7

Similar Compounds

Testosterone, 3-pentafluoropropionate, 17.beta.-HFB. Testosterone, 3-HFB, 17.beta.-pentafluoropropionate. 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.-TFA. Testosterone, 3-HFB, 17.beta.-chlorodifluoroacetate. Testosterone, 3-HFB, 17.beta.-monochloacetate. Testosterone, 3-TFA, 17.beta.-HFB. Testosterone, 3-chlorodifluoroacetate, 17.beta.-HFBate. Testosterone, 3-Ac, 17.beta.-HFB. Testosterone, 3,17.beta.-bispentafluoropropionate. Testosterone, 3-pentafluoropionate, 17.beta.-Ac. Testosterone, 3-HFB, 17.beta.-PFB. Methyltestosterone, HFB. Testosterone, HFB.

Find more compounds similar to Testosterone, 3-HFB, 17.beta.-pentadecaflorooctanoate.

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