Chemical Properties of Ethyl 2-fluorobenzoate (CAS 443-26-5)

Ethyl 2-fluorobenzoate

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InChI
InChI=1S/C9H9FO2/c1-2-12-9(11)7-5-3-4-6-8(7)10/h3-6H,2H2,1H3
InChI Key
RUWPGPOBTHOLHF-UHFFFAOYSA-N
Formula
C9H9FO2
SMILES
CCOC(=O)c1ccccc1F
Molecular Weight1
168.16
CAS
443-26-5
Other Names
  • 2-Fluorobenzoic acid, ethyl ester
  • Benzoic acid, o-fluoro-, ethyl ester
  • Ethyl 2-fluorobenzoate
  • Ethyl o-fluorobenzoate
Sources

Physical Properties

Property Value Unit Source
Δf -301.05 kJ/mol Joback Calculated Property
Δfgas -444.94 kJ/mol Joback Calculated Property
Δfus 18.59 kJ/mol Joback Calculated Property
Δvap 46.91 kJ/mol Joback Calculated Property
logPoct/wat 2.00 Crippen Calculated Property
Pc 3210.04 kPa Joback Calculated Property
Tboil 512.54 K Joback Calculated Property
Tc 718.86 K Joback Calculated Property
Tfus 302.88 K Joback Calculated Property
Vc 0.47 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 264.57 J/mol×K 512.54 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Propyl 2-fluorobenzoate. 2,6-Difluorobenzoic acid, ethyl ester. Methyl 2-fluorobenzoate. 2-Fluorobenzoic acid, butyl ester. 2-Fluorobenzoic acid, 3-methylbut-2-enyl ester. 2-Fluorobenzoic acid, pent-2-en-4-ynyl ester. 2-Fluorobenzoic acid, 2,2,2-trichloroethyl ester. 2-Fluorobenzoic acid, 3-methylbutyl ester. 2,4-Difluorobenzoic acid, isopropyl ester. 2-Fluorobenzoic acid, undec-2-enyl ester. 2,6-Difluorobenzoic acid, 3-chloroprop-2-enyl ester. 2-Fluorobenzoic acid, tridec-2-ynyl ester. 2,6-Difluorobenzoic acid, pent-2-en-4-ynyl ester. 2,6-difluorobenzoic acid, 3-methylbut-2-enyl ester. 2-Fluorobenzoic acid, 2-methylpentyl ester.

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