Chemical Properties of Orcinol, bis(heptafluorobutyrate)

Orcinol, bis(heptafluorobutyrate)

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InChI
InChI=1S/C15H6F14O4/c1-5-2-6(32-8(30)10(16,17)12(20,21)14(24,25)26)4-7(3-5)33-9(31)11(18,19)13(22,23)15(27,28)29/h2-4H,1H3
InChI Key
PGQIVHHBVWPPRU-UHFFFAOYSA-N
Formula
C15H6F14O4
SMILES
Cc1cc(OC(=O)C(F)(F)C(F)(F)C(F)(F)F)cc(OC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1
Molecular Weight1
516.18
Other Names
  • Resorcinol, 5-methyl, bis-HFB
Sources

Physical Properties

Property Value Unit Source
Δf -3009.57 kJ/mol Joback Calculated Property
Δfgas -3426.98 kJ/mol Joback Calculated Property
Δfus 32.08 kJ/mol Joback Calculated Property
Δvap 51.68 kJ/mol Joback Calculated Property
logPoct/wat 5.47 Crippen Calculated Property
Pc 1293.00 kPa Joback Calculated Property
Tboil 702.22 K Joback Calculated Property
Tc 869.46 K Joback Calculated Property
Tfus 477.37 K Joback Calculated Property
Vc 1.00 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 718.75 J/mol×K 702.22 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
-F 14
=CH- (ring) 3
=C< (ring) 3
>C< 6
-CH3 1
>C=O (nonring) 2

Similar Compounds

Resorcinol, 5-methyl, TFA-HFB. Benzoic acid, 3-(heptafluorobutyryloxy)-. 4-Methoxyphenol, heptafluorobutyrate. Hudroquinone, TFA-HFB. Benzoic acid, 4-(heptafluorobutyryloxy)-. 3,5-Dihydroxybenzyl alcohol, tris(heptafluorobutyrate). Heptafluorobutyric acid, 4-benzyloxyphenyl ester. Methyl 4-heptafluorobutyryloxybenzoate. Heptafluorobutyric acid, 2-naphthyl ester. 2,6-Dimethoxyphenol,heptafluorobutyrate. Orcinol, bis(pentafluoropropionate). 3-Chlorophenol, heptafluorobutyrate. Benzoic acid, 3-heptafluorobutyryloxy-, trimethylsilyl ester. Pentadecafluorooctanoic acid, 3-methylphenyl ester. 3-Hydroxybenzyl alcohol, bis(heptafluorobutyrate).

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