Chemical Properties of Heptafluorobutyric acid, n-octadecyl ester (CAS 400-57-7)

Heptafluorobutyric acid, n-octadecyl ester

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InChI
InChI=1S/C22H37F7O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-31-19(30)20(23,24)21(25,26)22(27,28)29/h2-18H2,1H3
InChI Key
ABJHYFXBHBSPMK-UHFFFAOYSA-N
Formula
C22H37F7O2
SMILES
CCCCCCCCCCCCCCCCCCOC(=O)C(F)(F)C(F)(F)C(F)(F)F
Molecular Weight1
466.52
CAS
400-57-7
Other Names
  • 1-Octadecanol, heptafluorobutyrate
  • Heptafluorobutyric acid, octadecyl ester
  • Octadecyl 2,2,3,3,4,4,4-heptafluorobutanoate
  • Octadecyl heptafluorobutanoate
  • Octadecyl heptafluorobutyrate
  • Octadecyl perfluorobutyrate
Sources

Physical Properties

Property Value Unit Source
Δf -1454.71 kJ/mol Joback Calculated Property
Δfgas -2141.23 kJ/mol Joback Calculated Property
Δfus 54.84 kJ/mol Joback Calculated Property
Δvap 64.12 kJ/mol Joback Calculated Property
logPoct/wat 8.62 Crippen Calculated Property
Pc 797.08 kPa Joback Calculated Property
Tboil 764.25 K Joback Calculated Property
Tc 935.69 K Joback Calculated Property
Tfus 421.25 K Joback Calculated Property
Vc 1.38 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1086.72 J/mol×K 764.25 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-F 7
>C=O (nonring) 1
-CH2- 17
>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. Tetradecyl heptafluorobutyrate. Tetratriacontyl heptafluorobutyrate. Octacosyl heptafluorobutyrate. Heptacosyl heptafluorobutyrate. Tetracosyl heptafluorobutyrate. Heptafluorobutyric acid, hexadecyl ester. Heptafluorobutyric acid, undecyl ester.

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