Chemical Properties of 4-Methoxyphenol, heptafluorobutyrate (CAS 80527-45-3)

4-Methoxyphenol, heptafluorobutyrate

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InChI
InChI=1S/C11H7F7O3/c1-20-6-2-4-7(5-3-6)21-8(19)9(12,13)10(14,15)11(16,17)18/h2-5H,1H3
InChI Key
MAXXAEQHDYJTRK-UHFFFAOYSA-N
Formula
C11H7F7O3
SMILES
COc1ccc(OC(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1
Molecular Weight1
320.16
CAS
80527-45-3
Other Names
  • Heptafluorobutyric acid, 4-methoxyphenyl ester
Sources

Physical Properties

Property Value Unit Source
Δf -1549.55 kJ/mol Joback Calculated Property
Δfgas -1821.35 kJ/mol Joback Calculated Property
Δfus 21.19 kJ/mol Joback Calculated Property
Δvap 44.98 kJ/mol Joback Calculated Property
logPoct/wat 3.43 Crippen Calculated Property
Pc 2090.75 kPa Joback Calculated Property
Tboil 566.65 K Joback Calculated Property
Tc 745.25 K Joback Calculated Property
Tfus 358.45 K Joback Calculated Property
Vc 0.68 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 438.54 J/mol×K 566.65 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
-F 7
=CH- (ring) 4
=C< (ring) 2
>C< 3
-CH3 1
>C=O (nonring) 1

Similar Compounds

Hudroquinone, TFA-HFB. Heptafluorobutyric acid, 4-benzyloxyphenyl ester. Heptafluorobutyric acid, 2-naphthyl ester. 3-Chlorophenol, heptafluorobutyrate. Benzoic acid, 4-(heptafluorobutyryloxy)-. Orcinol, bis(heptafluorobutyrate). Resorcinol, 5-methyl, TFA-HFB. Methyl 4-heptafluorobutyryloxybenzoate. Heptafluorobutyric acid, 2-chlorophenyl ester. 2,6-Dimethoxyphenol,heptafluorobutyrate. 2,6-Dichlorophenol, heptafluorobutyrate. Benzoic acid, 3-(heptafluorobutyryloxy)-. Heptafluorobutyric acid, 2-bromo-4-fluorophenyl ester. 3-Nitrophenol, heptafluorobutyrate. Benzoic acid, 4-heptafluorobutyryloxy-, trimethylsilyl ester.

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