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

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

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InChI
InChI=1S/C26H26F12O4/c1-20-9-7-13(41-19(40)23(29,30)25(33,34)35)11-12(20)3-4-14-15-5-6-17(21(15,2)10-8-16(14)20)42-18(39)22(27,28)24(31,32)26(36,37)38/h7,11,14-17H,3-6,8-10H2,1-2H3/t14?,15?,16?,17-,20-,21-/m1/s1
InChI Key
USLXJCDJCHXXGL-FVLSIOMWSA-N
Formula
C26H26F12O4
SMILES
CC12CCC3C(CCC4=CC(OC(=O)C(F)(F)C(F)(F)F)=CCC43C)C1CCC2OC(=O)C(F)(F)C(F)(F)C(F)(F)F
Molecular Weight1
630.46
Sources

Physical Properties

Property Value Unit Source
Δf -2426.56 kJ/mol Joback Calculated Property
Δfgas -3123.82 kJ/mol Joback Calculated Property
Δfus 41.81 kJ/mol Joback Calculated Property
Δvap 75.00 kJ/mol Joback Calculated Property
logPoct/wat 7.93 Crippen Calculated Property
Pc 887.88 kPa Joback Calculated Property
Tboil 969.68 K Joback Calculated Property
Tc 1187.21 K Joback Calculated Property
Tfus 666.32 K Joback Calculated Property
Vc 1.45 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1334.61 J/mol×K 969.68 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
-F 12
=CH- (ring) 2
=C< (ring) 2
>C< 5
-CH3 2
>C< (ring) 2
>C=O (nonring) 2
>CH- (ring) 4
-CH2- (ring) 7

Similar Compounds

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.-TFA. Testosterone, 3-HFB, 17.beta.-monochloacetate. Testosterone, 3-HFB, 17.beta.-chlorodifluoroacetate. Testosterone, 3-TFA, 17.beta.-HFB. Testosterone, 3-Ac, 17.beta.-HFB. Testosterone, 3-chlorodifluoroacetate, 17.beta.-HFBate. Testosterone, 3-HFB, 17.beta.-pentadecaflorooctanoate. Testosterone, 3,17.beta.-bispentafluoropropionate. Testosterone, 3-pentafluoropionate, 17.beta.-Ac. 5-Androsten-3-«alpha»,17-«beta»-diol, HFB. 5-Androsten-3-«beta»,17-«beta»-diol, HFB. 5-Androsten-3-«beta»,17-«alpha»-diol, HFB.

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