Chemical Properties of Pentadecafluorooctanoic acid, 4-chlorophenyl ester

Pentadecafluorooctanoic acid, 4-chlorophenyl ester

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InChI
InChI=1S/C14H4ClF15O2/c15-5-1-3-6(4-2-5)32-7(31)8(16,17)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)14(28,29)30/h1-4H
InChI Key
PXASKELRUZCUSF-UHFFFAOYSA-N
Formula
C14H4ClF15O2
SMILES
O=C(Oc1ccc(Cl)cc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
Molecular Weight1
524.61
Sources

Physical Properties

Property Value Unit Source
Δf -2978.34 kJ/mol Joback Calculated Property
Δfgas -3370.67 kJ/mol Joback Calculated Property
Δfus 26.95 kJ/mol Joback Calculated Property
Δvap 41.91 kJ/mol Joback Calculated Property
logPoct/wat 6.62 Crippen Calculated Property
Pc 1294.86 kPa Joback Calculated Property
Tboil 631.54 K Joback Calculated Property
Tc 792.87 K Joback Calculated Property
Tfus 414.35 K Joback Calculated Property
Vc 0.98 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 665.19 J/mol×K 631.54 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-F 15
=CH- (ring) 4
=C< (ring) 2
-Cl 1
>C< 7
>C=O (nonring) 1

Similar Compounds

Pentadecafluorooctanoic acid, naphth-2-yl ester. Pentadecafluorooctanoic acid, 3-methylphenyl ester. Pentadecafluorooctanoic acid, 4-benzyloxyphenyl ester. 3-Chlorophenol, heptafluorobutyrate. Heptafluorobutyric acid, 2-chlorophenyl ester. 2,6-Dichlorophenol, heptafluorobutyrate. 4-Methoxyphenol, heptafluorobutyrate. Hudroquinone, TFA-HFB. Heptafluorobutyric acid, 2-naphthyl ester. 2-Chloro-4-fluorophenyl heptanfluorobutyrate. Heptafluorobutyric acid, 4-benzyloxyphenyl ester. 2,3,5-Trichlorophenol, O-heptafluorobutyryl-. Benzoic acid, 4-(heptafluorobutyryloxy)-. Orcinol, bis(heptafluorobutyrate). Methyl 4-heptafluorobutyryloxybenzoate.

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