Chemical Properties of Benzoic acid, 3-fluoro-, ethyl ester (CAS 451-02-5)

Benzoic acid, 3-fluoro-, ethyl ester

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InChI
InChI=1S/C9H9FO2/c1-2-12-9(11)7-4-3-5-8(10)6-7/h3-6H,2H2,1H3
InChI Key
SMMIKBXLEWTSJD-UHFFFAOYSA-N
Formula
C9H9FO2
SMILES
CCOC(=O)c1cccc(F)c1
Molecular Weight1
168.16
CAS
451-02-5
Other Names
  • Benzoic acid, m-fluoro-, ethyl ester
  • Ethyl m-fluorobenzoate
  • Ethyl 3-fluorobenzoate
  • 3-Fluorobenzoic acid, ethyl ester
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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
log10WS -2.46 Crippen Calculated Property
logPoct/wat 2.002 Crippen Calculated Property
McVol 123.120 ml/mol McGowan 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 0.473 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [264.57; 325.43] J/mol×K [512.54; 718.86] Show Hide
Cp,gas 264.57 J/mol×K 512.54 Joback Calculated Property
Cp,gas 276.18 J/mol×K 546.93 Joback Calculated Property
Cp,gas 287.19 J/mol×K 581.31 Joback Calculated Property
Cp,gas 297.62 J/mol×K 615.70 Joback Calculated Property
Cp,gas 307.46 J/mol×K 650.08 Joback Calculated Property
Cp,gas 316.72 J/mol×K 684.47 Joback Calculated Property
Cp,gas 325.43 J/mol×K 718.86 Joback Calculated Property

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 367.70 K 2.10 NIST

Similar Compounds

3-Fluorobenzoic acid, 2,2,2-trichloroethyl ester. 3-Fluorobenzoic acid, methyl ester. Benzoic acid, 2-fluoro-, ethyl ester. 2,5-Difluorobenzoic acid, ethyl ester. Benzoic acid, 4-fluoro-, ethyl ester. 3-Fluorobenzoic acid, 3-chloroprop-2-enyl ester. 3-Fluorobenzoic acid, but-3-yn-2-yl ester. 3,4-Difluorobenzoic acid, propyl ester. 3,4-Difluorobenzoic acid, isopropyl ester. 3-Fluorobenzoic acid, pent-2-en-4-ynyl ester. 3-Fluorobenzoic acid, 3-methylbut-2-enyl ester. Benzoic acid, ethyl ester. 2,4-Difluorobenzoic acid, ethyl ester. Propyl 2-fluorobenzoate. 2,5-Difluorobenzoic acid, propyl ester.

Find more compounds similar to Benzoic acid, 3-fluoro-, ethyl ester.

Sources

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