Chemical Properties of Methyl 2-fluorobenzoate (CAS 394-35-4)

Methyl 2-fluorobenzoate

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InChI
InChI=1S/C8H7FO2/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5H,1H3
InChI Key
QAFJIJWLEBLXHH-UHFFFAOYSA-N
Formula
C8H7FO2
SMILES
COC(=O)c1ccccc1F
Molecular Weight1
154.14
CAS
394-35-4
Other Names
  • 2-Fluorobenzoic acid, methyl ester
  • Benzoic acid, 2-fluoro-, methyl ester
  • Benzoic acid, o-fluoro-, methyl ester
  • Methyl o-fluorobenzoate
  • o-Fluorobenzoic acid, methyl ester
Sources

Physical Properties

Property Value Unit Source
Δf -309.47 kJ/mol Joback Calculated Property
Δfgas -424.30 kJ/mol Joback Calculated Property
Δfus 15.99 kJ/mol Joback Calculated Property
Δvap 44.68 kJ/mol Joback Calculated Property
logPoct/wat 1.61 Crippen Calculated Property
Pc 3589.94 kPa Joback Calculated Property
Tboil 489.66 K Joback Calculated Property
Tc 699.06 K Joback Calculated Property
Tfus 291.61 K Joback Calculated Property
Vc 0.42 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 222.54 J/mol×K 489.66 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Ethyl 2-fluorobenzoate. Methyl 2,6-difluorobenzoate. Propyl 2-fluorobenzoate. Benzoic acid, 2-fluoro-. 2,5-Difluorobenzoic acid, methyl ester. 2,6-Difluorobenzoic acid, ethyl ester. 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. 2,6-Difluorobenzoic acid. 2-Fluorobenzoic acid, undec-2-enyl ester. 2,6-Difluorobenzoic acid, 3-chloroprop-2-enyl ester.

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