Chemical Properties of Propyl 2-fluorobenzoate (CAS 811465-80-2)

Propyl 2-fluorobenzoate

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InChI
InChI=1S/C10H11FO2/c1-2-7-13-10(12)8-5-3-4-6-9(8)11/h3-6H,2,7H2,1H3
InChI Key
IOQAFIPZQVBMTK-UHFFFAOYSA-N
Formula
C10H11FO2
SMILES
CCCOC(=O)c1ccccc1F
Molecular Weight1
182.19
CAS
811465-80-2
Other Names
  • 2-Fluorobenzoic acid, propyl ester
  • Benzoic acid, 2-fluoro-, propyl ester
Sources

Physical Properties

Property Value Unit Source
Δf -292.63 kJ/mol Joback Calculated Property
Δfgas -465.58 kJ/mol Joback Calculated Property
Δfus 21.18 kJ/mol Joback Calculated Property
Δvap 49.13 kJ/mol Joback Calculated Property
logPoct/wat 2.39 Crippen Calculated Property
Pc 2887.40 kPa Joback Calculated Property
Tboil 535.42 K Joback Calculated Property
Tc 738.70 K Joback Calculated Property
Tfus 314.15 K Joback Calculated Property
Vc 0.53 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 308.55 J/mol×K 535.42 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-CH3 1
=CH- (ring) 4
=C< (ring) 2
-CH2- 2
-F 1
>C=O (nonring) 1

Similar Compounds

2-Fluorobenzoic acid, butyl ester. 2-Fluorobenzoic acid, 3-methylbutyl ester. Ethyl 2-fluorobenzoate. 2-Fluorobenzoic acid, 2-methylpentyl ester. 2-Fluorobenzoic acid, 8-chlorooctyl ester. 2-Fluorobenzoic acid, 3-methylbut-2-yl ester. 2,6-Difluorobenzoic acid, hexyl ester. 2,4-Difluorobenzoic acid, neopentyl ester. 2,6-Difluorobenzoic acid, ethyl ester. 2,4-Difluorobenzoic acid, 3-methylbutyl ester. 2,6-Difluorobenzoic acid, heptyl ester. 2,6-Difluorobenzoic acid, octadecyl ester. 2,6-Difluorobenzoic acid, hexadecyl ester. 2-Fluorobenzoic acid, 3-methylbut-2-enyl ester. Methyl 2-fluorobenzoate.

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