Chemical Properties of Testosterone, 3,17.beta.-bispentafluoropropionate

Testosterone, 3,17.beta.-bispentafluoropropionate

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InChI
InChI=1S/C25H26F10O4/c1-20-9-7-13(38-18(36)22(26,27)24(30,31)32)11-12(20)3-4-14-15-5-6-17(21(15,2)10-8-16(14)20)39-19(37)23(28,29)25(33,34)35/h7,11,14-17H,3-6,8-10H2,1-2H3/t14?,15?,16?,17-,20?,21?/m1/s1
InChI Key
GTHFNBCICDBBFH-RZCFPABXSA-N
Formula
C25H26F10O4
SMILES
CC12CCC3C(CCC4=CC(OC(=O)C(F)(F)C(F)(F)F)=CCC43C)C1CCC2OC(=O)C(F)(F)C(F)(F)F
Molecular Weight1
580.46
Sources

Physical Properties

Property Value Unit Source
Δf -2048.20 kJ/mol Joback Calculated Property
Δfgas -2702.21 kJ/mol Joback Calculated Property
Δfus 40.48 kJ/mol Joback Calculated Property
Δvap 75.70 kJ/mol Joback Calculated Property
logPoct/wat 7.29 Crippen Calculated Property
Pc 983.31 kPa Joback Calculated Property
Tboil 951.49 K Joback Calculated Property
Tc 1166.61 K Joback Calculated Property
Tfus 651.45 K Joback Calculated Property
Vc 1.37 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1255.90 J/mol×K 951.49 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Testosterone, 3-pentafluoropionate, 17.beta.-Ac. 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.-monochloacetate. Testosterone, 3-HFB, 17.beta.-chlorodifluoroacetate. Testosterone, 3-TFA, 17.beta.-HFB. Testosterone, 3,17.beta.-bisTFA. Testosterone, 3-Ac, 17.beta.-HFB. Testosterone, 3-TFA, 17.beta.-Ac. Testosterone, 3-chlorodifluoroacetate, 17.beta.-HFBate. Testosterone, 3-HFB, 17.beta.-pentadecaflorooctanoate. Testosterone, 3,17.beta.-bis-chlorodifluoroacetate.

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