Chemical Properties of Pentafluorobenzoic acid, tridec-2-ynyl ester

Pentafluorobenzoic acid, tridec-2-ynyl ester

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InChI
InChI=1S/C20H23F5O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-27-20(26)14-15(21)17(23)19(25)18(24)16(14)22/h2-10,13H2,1H3
InChI Key
OOSBOESRAMWXPK-UHFFFAOYSA-N
Formula
C20H23F5O2
SMILES
CCCCCCCCCCC#CCOC(=O)c1c(F)c(F)c(F)c(F)c1F
Molecular Weight1
390.39
Sources

Physical Properties

Property Value Unit Source
Δf -823.39 kJ/mol Joback Calculated Property
Δfgas -1230.00 kJ/mol Joback Calculated Property
Δfus 60.96 kJ/mol Joback Calculated Property
Δvap 72.92 kJ/mol Joback Calculated Property
logPoct/wat 6.07 Crippen Calculated Property
Pc 1188.24 kPa Joback Calculated Property
Tboil 790.22 K Joback Calculated Property
Tc 974.96 K Joback Calculated Property
Tfus 585.39 K Joback Calculated Property
Vc 1.12 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 813.97 J/mol×K 790.22 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-CH3 1
#C- 2
=C< (ring) 6
-CH2- 10
-F 5
>C=O (nonring) 1

Similar Compounds

2,3,4-Trifluorobenzoic acid, tridec-2-ynyl ester. Prop-2-ynyl 2,3,4,5,6-pentafluorobenzoate. Pentafluorobenzoic acid, but-3-yn-2-yl ester. Benzoic acid, 2,3,4,5,6-pentafluoro-, ethyl ester. Pentafluorobenzoic acid, hex-4-yn-3-yl ester. Pentafluorobenzoic acid, isopropyl ester. Pentafluorobenzoic acid, propyl ester. Pentafluorobenzoic acid, butyl ester. Pentafluorobenzoic acid, 2-methylpropyl ester. pentyl pentafluorobenzoate. Nonyl 2,3,4,5,6-pentafluorobenzoate. Decyl 2,3,4,5,6-pentafluorobenzoate. octyl pentafluorobenzoate. Dodecyl 2,3,4,5,6-pentafluorobenzoate. Hexyl 2,3,4,5,6-pentafluorobenzoate.

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