Chemical Properties of 3-Methylcatechol, bis(heptafluorobutyrate)

3-Methylcatechol, bis(heptafluorobutyrate)

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InChI
InChI=1S/C15H6F14O4/c1-5-3-2-4-6(32-8(30)10(16,17)12(20,21)14(24,25)26)7(5)33-9(31)11(18,19)13(22,23)15(27,28)29/h2-4H,1H3
InChI Key
UBSSKDUJINPOKG-UHFFFAOYSA-N
Formula
C15H6F14O4
SMILES
Cc1cccc(OC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1OC(=O)C(F)(F)C(F)(F)C(F)(F)F
Molecular Weight1
516.18
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

3-Methylcatechol, bis(pentafluoropropionate). 4-tert-Butylcatechol, O,O'-bis(heptafluorobutyrate). 2,6-Dimethoxyphenol,heptafluorobutyrate. 4'-Hydroxy-3'-methoxyacetophenone, heptafluorobutyrate. 3-Heptafluorobutyryloxy-4-methoxybenzyl alcohol, O-pentafluoropropionyl-. Coniferyl alcohol, bis(heptafluorobutyrate). Orcinol, bis(heptafluorobutyrate). Resorcinol, 5-methyl, TFA-HFB. Dihydrocapsaicin, o-heptafluorobutyryl-. Benzoic acid, 3-(heptafluorobutyryloxy)-. 4-Hydroxy-3-methoxybenzyl alcohol, bis(heptafluorobutyrate). Benzoic acid, 3-heptafluorobutyryloxy-, trimethylsilyl ester. Methyl 2-hydroxy-4-methoxybenzoate, heptafluorobutyrate. Pentadecafluorooctanoic acid, 3-methylphenyl ester. 3-Hydroxytyramine, N,O,O'-tris(heptafluorobutyryl)-.

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