Chemical Properties of Pyrogallol, tris(trifluoroacetate)

Pyrogallol, tris(trifluoroacetate)

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InChI
InChI=1S/C12H3F9O6/c13-10(14,15)7(22)25-4-2-1-3-5(26-8(23)11(16,17)18)6(4)27-9(24)12(19,20)21/h1-3H
InChI Key
LVGFRJNVXPPMBM-UHFFFAOYSA-N
Formula
C12H3F9O6
SMILES
O=C(Oc1cccc(OC(=O)C(F)(F)F)c1OC(=O)C(F)(F)F)C(F)(F)F
Molecular Weight1
414.13
Sources

Physical Properties

Property Value Unit Source
Δf -2303.22 kJ/mol Joback Calculated Property
Δfgas -2603.06 kJ/mol Joback Calculated Property
Δfus 33.94 kJ/mol Joback Calculated Property
Δvap 62.13 kJ/mol Joback Calculated Property
logPoct/wat 3.09 Crippen Calculated Property
Pc 1925.36 kPa Joback Calculated Property
Tboil 723.21 K Joback Calculated Property
Tc 904.30 K Joback Calculated Property
Tfus 505.51 K Joback Calculated Property
Vc 0.80 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 552.97 J/mol×K 723.21 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 3
-F 9
=CH- (ring) 3
=C< (ring) 3
>C< 3
>C=O (nonring) 3

Similar Compounds

2,6-Dimethoxyphenol, trifluoroacetate. Pyrogallol, triacetate. Phenol, 2,6-dimethoxy-, acetate. Catechol, O-chlorodifluoroacetate-O'-trifluoroacetate. 1,2,4-Tri-acetoxybenzene. 2,6-Dimethoxyphenol, pentafluoropropionate. 1,2-Dimethoxy-3-acetoacetylnaphthalene. Benzene-hexa-n-heptanoate. Benzene-hexa-n-octanoate. Benzene-hexa-n-hexanoate. Sebacic acid, di(2,6-dimethoxyphenyl) ester. Glutaric acid, di(2,6-dimethoxyphenyl) ester. Pyrocatechol diacetate. 1,2,4-Benzenetriol, tributyrate. Orcinol, bis(trifluoroacetate).

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