Chemical Properties of 3-Fluorobenzoic acid, 2-bromo-4-fluorophenyl ester

3-Fluorobenzoic acid, 2-bromo-4-fluorophenyl ester

InChI
InChI=1S/C13H7BrF2O2/c14-11-7-10(16)4-5-12(11)18-13(17)8-2-1-3-9(15)6-8/h1-7H
InChI Key
BYQUAURDSCOPJV-UHFFFAOYSA-N
Formula
C13H7BrF2O2
SMILES
O=C(Oc1ccc(F)cc1Br)c1cccc(F)c1
Molecular Weight1
313.09
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Physical Properties

Property Value Unit Source
ΔfusH° 30.57 kJ/mol Joback Calculated Property
IE 8.69 eV Relay (1.0) Calculated Property
logPoct/wat 3.946 Crippen Calculated Property
McVol 174.990 ml/mol McGowan Calculated Property
Inp [1781.00; 1781.00]   Show Hide
Inp 1781.00 NIST
Inp 1781.00 NIST
Tboil 585.76 K Relay (1.0) Calculated Property
Tfus 319.52 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [412.69; 466.23] J/mol×K [706.13; 944.68] Show Hide
Cp,gas 412.69 J/mol×K 706.13 Joback Calculated Property
Cp,gas 423.80 J/mol×K 745.89 Joback Calculated Property
Cp,gas 433.98 J/mol×K 785.65 Joback Calculated Property
Cp,gas 443.28 J/mol×K 825.41 Joback Calculated Property
Cp,gas 451.73 J/mol×K 865.16 Joback Calculated Property
Cp,gas 459.37 J/mol×K 904.92 Joback Calculated Property
Cp,gas 466.23 J/mol×K 944.68 Joback Calculated Property

Similar Compounds

2-Fluorobenzoic acid, 2-bromo-4-fluorophenyl ester. 4-Fluorobenzoic acid, 2-bromo-4-fluorophenyl ester. Isophthalic acid, di(2-bromo-4-fluorophenyl) ester. 3-Bromobenzoic acid, 2-bromo-4-fluorophenyl ester. 4-Bromobenzoic acid, 2-bromo-4-fluorophenyl ester. 4-Cyanobenzoic acid, 2-bromo-4-fluorophenyl ester. 2-Bromobenzoic acid, 2-bromo-4-fluorophenyl ester. p-Methoxybenzoic acid, 2-bromo-4-fluorophenyl ester. p-Toluic acid, 2-bromo-4-fluorophenyl ester. m-Methoxybenzoic acid, 2-bromo-4-fluorophenyl ester. 3-Trifluoromethylbenzoic acid, 2-bromo-4-fluorophenyl ester. 2,6-Difluorobenzoic acid, 2-bromo-4-fluorophenyl ester. o-Methoxybenzoic acid, 2-bromo-4-fluorophenyl ester. 4-Nitrobenzoic acid, 2-bromo-4-fluorophenyl ester. 3-Fluorobenzoic acid, phenyl ester.

Find more compounds similar to 3-Fluorobenzoic acid, 2-bromo-4-fluorophenyl ester.

Sources

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