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

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

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InChI
InChI=1S/C25H28ClF7O4/c1-21-9-7-14(36-20(35)23(27,28)24(29,30)25(31,32)33)11-13(21)3-4-15-16-5-6-18(37-19(34)12-26)22(16,2)10-8-17(15)21/h7,11,15-18H,3-6,8-10,12H2,1-2H3/t15?,16?,17?,18-,21-,22-/m1/s1
InChI Key
WYBQRJXFEKTTGH-FSFORYKRSA-N
Formula
C25H28ClF7O4
SMILES
CC12CCC3C(CCC4=CC(OC(=O)C(F)(F)C(F)(F)C(F)(F)F)=CCC43C)C1CCC2OC(=O)CCl
Molecular Weight1
560.93
Sources

Physical Properties

Property Value Unit Source
Δf -1478.54 kJ/mol Joback Calculated Property
Δfgas -2120.87 kJ/mol Joback Calculated Property
Δfus 42.85 kJ/mol Joback Calculated Property
Δvap 83.83 kJ/mol Joback Calculated Property
logPoct/wat 6.97 Crippen Calculated Property
Pc 1033.90 kPa Joback Calculated Property
Tboil 994.34 K Joback Calculated Property
Tc 1220.42 K Joback Calculated Property
Tfus 677.18 K Joback Calculated Property
Vc 1.38 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1269.60 J/mol×K 994.34 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

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

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