Chemical Properties of Octan-2-yl 2,3,4,5,6-pentafluorobenzoate

Octan-2-yl 2,3,4,5,6-pentafluorobenzoate

Download as PDF file Download as Excel file Download as 2D mole file Predict properties

InChI
InChI=1S/C15H17F5O2/c1-3-4-5-6-7-8(2)22-15(21)9-10(16)12(18)14(20)13(19)11(9)17/h8H,3-7H2,1-2H3
InChI Key
IWYSQBVZHZVYTO-UHFFFAOYSA-N
Formula
C15H17F5O2
SMILES
CCCCCCC(C)OC(=O)c1c(F)c(F)c(F)c(F)c1F
Molecular Weight1
324.29
Sources

Physical Properties

Property Value Unit Source
Δf -1070.73 kJ/mol Joback Calculated Property
Δfgas -1404.38 kJ/mol Joback Calculated Property
Δfus 41.37 kJ/mol Joback Calculated Property
Δvap 59.25 kJ/mol Joback Calculated Property
logPoct/wat 4.90 Crippen Calculated Property
Pc 1510.50 kPa Joback Calculated Property
Tboil 666.38 K Joback Calculated Property
Tc 838.10 K Joback Calculated Property
Tfus 407.94 K Joback Calculated Property
Vc 0.88 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 584.70 J/mol×K 666.38 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 1
-F 5
=C< (ring) 6
-CH2- 5
-CH3 2
>C=O (nonring) 1

Similar Compounds

Nonyl 2,3,4,5,6-pentafluorobenzoate. octyl pentafluorobenzoate. Dodecyl 2,3,4,5,6-pentafluorobenzoate. Decyl 2,3,4,5,6-pentafluorobenzoate. 4-Methylpentan-2-yl 2,3,4,5,6-pentafluorobenzoate. Hexyl 2,3,4,5,6-pentafluorobenzoate. pentyl pentafluorobenzoate. 8-Chlorooctyl 2,3,4,5,6-pentafluorobenzoate. 10-Chlorodecyl 2,3,4,5,6-pentafluorobenzoate. 1,2-dimethylpropyl pentafluorobenzoate. Pentafluorobenzoic acid, butyl ester. 3-Methylpentan-3-yl 2,3,4,5,6-pentafluorobenzoate. Isopentyl 2,3,4,5,6-pentafluorobenzoate. 4-pentenyl pentaflurobenzoate. Pentafluorobenzoic acid, propyl ester.

Find more compounds similar to Octan-2-yl 2,3,4,5,6-pentafluorobenzoate.

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.