Chemical Properties of 4-Bromobenzoic acid, 2-bromo-4-fluorophenyl ester

4-Bromobenzoic acid, 2-bromo-4-fluorophenyl ester

InChI
InChI=1S/C13H7Br2FO2/c14-9-3-1-8(2-4-9)13(17)18-12-6-5-10(16)7-11(12)15/h1-7H
InChI Key
FASDXTVETMMYNN-UHFFFAOYSA-N
Formula
C13H7Br2FO2
SMILES
O=C(Oc1ccc(F)cc1Br)c1ccc(Br)cc1
Molecular Weight1
374.00
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Physical Properties

Property Value Unit Source
ΔfusH° 34.36 kJ/mol Joback Calculated Property
IE 8.62 eV Relay (1.0) Calculated Property
logPoct/wat 4.570 Crippen Calculated Property
McVol 190.720 ml/mol McGowan Calculated Property
Inp [2095.00; 2095.00]   Show Hide
Inp 2095.00 NIST
Inp 2095.00 NIST
Tfus 363.50 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, 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 [432.12; 478.84] J/mol×K [755.15; 1013.50] Show Hide
Cp,gas 432.12 J/mol×K 755.15 Joback Calculated Property
Cp,gas 442.31 J/mol×K 798.21 Joback Calculated Property
Cp,gas 451.45 J/mol×K 841.27 Joback Calculated Property
Cp,gas 459.60 J/mol×K 884.33 Joback Calculated Property
Cp,gas 466.84 J/mol×K 927.39 Joback Calculated Property
Cp,gas 473.23 J/mol×K 970.44 Joback Calculated Property
Cp,gas 478.84 J/mol×K 1013.50 Joback Calculated Property

Similar Compounds

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

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

Sources

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