Chemical Properties of Resorcinol, 5-methyl, TFA-HFB

Resorcinol, 5-methyl, TFA-HFB

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InChI
InChI=1S/C13H6F10O4/c1-5-2-6(4-7(3-5)27-9(25)11(16,17)18)26-8(24)10(14,15)12(19,20)13(21,22)23/h2-4H,1H3
InChI Key
CTBWADNRZRSKRH-UHFFFAOYSA-N
Formula
C13H6F10O4
SMILES
Cc1cc(OC(=O)C(F)(F)F)cc(OC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1
Molecular Weight1
416.17
Sources

Physical Properties

Property Value Unit Source
Δf -2252.85 kJ/mol Joback Calculated Property
Δfgas -2583.76 kJ/mol Joback Calculated Property
Δfus 29.41 kJ/mol Joback Calculated Property
Δvap 53.09 kJ/mol Joback Calculated Property
logPoct/wat 4.20 Crippen Calculated Property
Pc 1670.06 kPa Joback Calculated Property
Tboil 665.84 K Joback Calculated Property
Tc 839.39 K Joback Calculated Property
Tfus 447.63 K Joback Calculated Property
Vc 0.84 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 578.94 J/mol×K 665.84 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
-F 10
=CH- (ring) 3
=C< (ring) 3
>C< 4
-CH3 1
>C=O (nonring) 2

Similar Compounds

Orcinol, bis(heptafluorobutyrate). Hudroquinone, TFA-HFB. Benzoic acid, 3-(heptafluorobutyryloxy)-. 4-Methoxyphenol, heptafluorobutyrate. 3,5-Dihydroxybenzyl alcohol, tris(heptafluorobutyrate). Benzoic acid, 4-(heptafluorobutyryloxy)-. Heptafluorobutyric acid, 4-benzyloxyphenyl ester. Methyl 4-heptafluorobutyryloxybenzoate. 2,6-Dimethoxyphenol,heptafluorobutyrate. Heptafluorobutyric acid, 2-naphthyl ester. Orcinol, bis(pentafluoropropionate). Benzoic acid, 3-heptafluorobutyryloxy-, trimethylsilyl ester. 3-Chlorophenol, heptafluorobutyrate. 4-tert-Butylcatechol, O,O'-bis(heptafluorobutyrate). 3-Methylcatechol, bis(heptafluorobutyrate).

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