Chemical Properties of Perfluorohxamethyl benzvalene (CAS 22186-64-7)

Perfluorohxamethyl benzvalene

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InChI
InChI=1S/C12F18/c13-5(14,15)1-2(6(16,17)18)4(10(22,23)24)7(11(25,26)27)3(1,9(19,20)21)8(4,7)12(28,29)30
InChI Key
FICGHCVUNRMIDX-UHFFFAOYSA-N
Formula
C12F18
SMILES
FC(F)(F)C1=C(C(F)(F)F)C2(C(F)(F)F)C3(C(F)(F)F)C1(C(F)(F)F)C23C(F)(F)F
Molecular Weight1
486.10
CAS
22186-64-7
Sources

Physical Properties

Property Value Unit Source
Δf -3239.80 kJ/mol Joback Calculated Property
Δfgas -3561.15 kJ/mol Joback Calculated Property
Δfus 14.82 kJ/mol Joback Calculated Property
Δvap 15.75 kJ/mol Joback Calculated Property
logPoct/wat 6.64 Crippen Calculated Property
Pc 1481.57 kPa Joback Calculated Property
Tboil 454.26 K Joback Calculated Property
Tc 583.91 K Joback Calculated Property
Tfus 431.68 K Joback Calculated Property
Vc 0.84 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 515.33 J/mol×K 454.26 Joback Calculated Property
ΔvapH 38.60 kJ/mol 323.0 NIST

Molecular Descriptors

Joback and Reid Groups
>C< (ring) 4
=C< (ring) 2
-F 18
>C< 6

Similar Compounds

Perfluorohexamethyl dewar benzene. 17-epi-Fluoxymesterone, 17-TMS. Fluoxymesterone ditms. Fluoxymesterone. 6.beta.-Hydroxy-Fluoxymesterone, bis-TMS. TRIAMCINOLONE DIACETATE. Pregn-4-ene-3,20-dione, 9alpha-fluoro-11,17alpha,21-trihydroxy-, 21- acetate. 6.beta.-Hydroxy-Fluoxymesterone, tetra-TMS (2,4-diene). Betamethasone dipropionate. Fluoxymesterone, tris-TMS (2,4-diene). Fluoxymesterone, bis-TMS (2,4-diene). Prednisolone, 9alpha-fluoro-16alpha-methyl-, acetate. Dexamethasone, 6-hydroxy, MO TMS. Triamcinolone. Fluoxymesterone, bis-TMS (3,5-diene).

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