Chemical Properties of Pentafluorobenzoic acid, oct-3-en-2-yl ester

Pentafluorobenzoic acid, oct-3-en-2-yl ester

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InChI
InChI=1S/C15H15F5O2/c1-3-4-5-6-7-8(2)22-15(21)9-10(16)12(18)14(20)13(19)11(9)17/h6-8H,3-5H2,1-2H3/b7-6+
InChI Key
VBECRBLNWKRCRC-VOTSOKGWSA-N
Formula
C15H15F5O2
SMILES
CCCCC=CC(C)OC(=O)c1c(F)c(F)c(F)c(F)c1F
Molecular Weight1
322.27
Sources

Physical Properties

Property Value Unit Source
Δf -990.51 kJ/mol Joback Calculated Property
Δfgas -1287.16 kJ/mol Joback Calculated Property
Δfus 41.57 kJ/mol Joback Calculated Property
Δvap 59.21 kJ/mol Joback Calculated Property
logPoct/wat 4.67 Crippen Calculated Property
Pc 1573.45 kPa Joback Calculated Property
Tboil 670.54 K Joback Calculated Property
Tc 847.25 K Joback Calculated Property
Tfus 402.86 K Joback Calculated Property
Vc 0.86 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 562.52 J/mol×K 670.54 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 1
-F 5
>C=O (nonring) 1
=C< (ring) 6
-CH2- 3
=CH- 2
-CH3 2

Similar Compounds

2,3,4-Trifluorobenzoic acid, oct-3-en-2-yl ester. Pentafluorobenzoic acid, undec-2-enyl ester. Pentafluorobenzoic acid, isopropyl ester. Pentafluorobenzoic acid, pent-2-en-4-ynyl ester. (Z)-Non-3-enyl 2,3,4,5,6-pentafluorobenzoate. Pentafluorobenzoic acid, 3-chloroprop-2-enyl ester. (E)-Hex-3-enyl 2,3,4,5,6-pentafluorobenzoate. (Z)-3-hexenyl pentaflurobenzoate. Benzoic acid, 2,3,4,5,6-pentafluoro-, ethyl ester. Pentafluorobenzoic acid, but-3-yn-2-yl ester. 2,3,4-Trifluorobenzoic acid, 3-methylbut-2-enyl ester. Pentafluorobenzoic acid, propyl ester. 2,3,4-Trifluorobenzoic acid, pent-2-en-4-ynyl ester. Prop-2-ynyl 2,3,4,5,6-pentafluorobenzoate. Pentafluorobenzoic acid, butyl ester.

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