Chemical Properties of 3-Fluorobenzoic acid, methyl ester (CAS 455-68-5)

3-Fluorobenzoic acid, methyl ester

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InChI
InChI=1S/C8H7FO2/c1-11-8(10)6-3-2-4-7(9)5-6/h2-5H,1H3
InChI Key
YXZNVLYXBIIIOB-UHFFFAOYSA-N
Formula
C8H7FO2
SMILES
COC(=O)c1cccc(F)c1
Molecular Weight1
154.14
CAS
455-68-5
Other Names
  • 3-F-C6H4-COOCH3
  • Benzoic acid, 3-fluoro-, methyl ester
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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
log10WS -2.05 Crippen Calculated Property
logPoct/wat 1.612 Crippen Calculated Property
McVol 109.030 ml/mol McGowan 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 0.417 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [222.54; 277.50] J/mol×K [489.66; 699.06] Show Hide
Cp,gas 222.54 J/mol×K 489.66 Joback Calculated Property
Cp,gas 233.02 J/mol×K 524.56 Joback Calculated Property
Cp,gas 242.97 J/mol×K 559.46 Joback Calculated Property
Cp,gas 252.38 J/mol×K 594.36 Joback Calculated Property
Cp,gas 261.27 J/mol×K 629.26 Joback Calculated Property
Cp,gas 269.64 J/mol×K 664.16 Joback Calculated Property
Cp,gas 277.50 J/mol×K 699.06 Joback Calculated Property

Similar Compounds

Benzoic acid, 3-fluoro-, ethyl ester. 3-Fluorobenzoic acid, 2,2,2-trichloroethyl ester. Methyl 2-fluorobenzoate. 2,5-Difluorobenzoic acid, methyl ester. Benzoic acid, 3-fluoro-. Methyl 4-fluorobenzoate. 3-Fluorobenzoic acid, 3-chloroprop-2-enyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, methyl ester. 2-Bromo-5-fluorobenzoic acid, methyl ester. Benzoic acid, methyl ester. 3-Fluorobenzoic acid, but-3-yn-2-yl ester. Benzoic acid, 2-fluoro-, ethyl ester. 3-Fluorobenzoic acid, pent-2-en-4-ynyl ester. 2,5-Difluorobenzoic acid, ethyl ester. 3,4-Difluorobenzoic acid, neopentyl ester.

Find more compounds similar to 3-Fluorobenzoic acid, methyl ester.

Sources

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