Chemical Properties of Heptafluorobutyric acid, hexadecyl ester (CAS 6385-15-5)

Heptafluorobutyric acid, hexadecyl ester

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InChI
InChI=1S/C20H33F7O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-29-17(28)18(21,22)19(23,24)20(25,26)27/h2-16H2,1H3
InChI Key
HXCITEKMLXXCSM-UHFFFAOYSA-N
Formula
C20H33F7O2
SMILES
CCCCCCCCCCCCCCCCOC(=O)C(F)(F)C(F)(F)C(F)(F)F
Molecular Weight1
438.46
CAS
6385-15-5
Other Names
  • 1-Hexadecanol, HFB
  • Hexadecyl heptafluorobutanoate
  • Hexadecyl heptafluorobutyrate
Sources

Physical Properties

Property Value Unit Source
Δf -1471.55 kJ/mol Joback Calculated Property
Δfgas -2099.95 kJ/mol Joback Calculated Property
Δfus 49.66 kJ/mol Joback Calculated Property
Δvap 59.66 kJ/mol Joback Calculated Property
logPoct/wat 7.84 Crippen Calculated Property
Pc 891.07 kPa Joback Calculated Property
Tboil 718.49 K Joback Calculated Property
Tc 880.76 K Joback Calculated Property
Tfus 398.71 K Joback Calculated Property
Vc 1.27 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 966.88 J/mol×K 718.49 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-F 7
>C=O (nonring) 1
-CH2- 15
>C< 3
-CH3 1

Similar Compounds

1-Heptafluorobutyryloxydecane. Hexacosyl heptafluorobutyrate. Triacontyl heptafluorobutyrate. Heneicosyl heptafluorobutyrate. heptafluorobutanoic acid, heptadecyl ester. Nonadecyl heptafluorobutyrate. Dotriacontyl heptafluorobutyrate. Heptafluorobutyric acid, pentadecyl ester. Heptafluorobutyric acid, n-octadecyl ester. Tetradecyl heptafluorobutyrate. Tetratriacontyl heptafluorobutyrate. Octacosyl heptafluorobutyrate. Heptacosyl heptafluorobutyrate. Tetracosyl heptafluorobutyrate. Heptafluorobutyric acid, undecyl ester.

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