Chemical Properties of Pyrocatechol, 4-tert.-butyl, TFA-PFP

Pyrocatechol, 4-tert.-butyl, TFA-PFP

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InChI
InChI=1S/C15H12F8O4/c1-12(2,3)7-4-5-8(26-11(25)14(18,19)20)9(6-7)27-10(24)13(16,17)15(21,22)23/h4-6H,1-3H3
InChI Key
GZQGVFISYTVXCI-UHFFFAOYSA-N
Formula
C15H12F8O4
SMILES
CC(C)(C)c1ccc(OC(=O)C(F)(F)F)c(OC(=O)C(F)(F)C(F)(F)F)c1
Molecular Weight1
408.24
Sources

Physical Properties

Property Value Unit Source
Δf -1846.39 kJ/mol Joback Calculated Property
Δfgas -2232.82 kJ/mol Joback Calculated Property
Δfus 28.43 kJ/mol Joback Calculated Property
Δvap 59.18 kJ/mol Joback Calculated Property
logPoct/wat 4.55 Crippen Calculated Property
Pc 1539.08 kPa Joback Calculated Property
Tboil 713.06 K Joback Calculated Property
Tc 896.87 K Joback Calculated Property
Tfus 468.99 K Joback Calculated Property
Vc 0.92 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 665.67 J/mol×K 713.06 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
-F 8
=CH- (ring) 3
=C< (ring) 3
>C< 4
-CH3 3
>C=O (nonring) 2

Similar Compounds

4-tert-Butylcatechol, O,O'-bis(heptafluorobutyrate). Vanillin, pentafluoropropionate. 3-Methylcatechol, bis(pentafluoropropionate). 4'-Hydroxy-3'-methoxyacetophenone, heptafluorobutyrate. 3-Hydroxy-4-methoxybenzyl alcohol, di(pentafluoropropionate). 4-Hydroxy-3-methoxybenzyl alcohol, bis(pentafluoropropionate). 2,6-Dimethoxyphenol, pentafluoropropionate. Coniferyl alcohol, bis(pentafluoropropionate). Dihydrocapsaicin, O-pentafluoropropionyl-. 3-Hydroxytyramine, N,O,O'-tris(heptafluorobutyryl)-. 3-Methylcatechol, bis(heptafluorobutyrate). 3-Heptafluorobutyryloxy-4-methoxybenzyl alcohol, O-pentafluoropropionyl-. Dopamine, N-acetyl-TFA. Pentafluoropropanoic acid, 3,5-dimethylphenyl ester. Orcinol, bis(pentafluoropropionate).

Find more compounds similar to Pyrocatechol, 4-tert.-butyl, TFA-PFP.

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