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

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

InChI
InChI=1S/C13H7Br2FO2/c14-9-3-1-2-8(6-9)13(17)18-12-5-4-10(16)7-11(12)15/h1-7H
InChI Key
MNLMCXWAMPPDIB-UHFFFAOYSA-N
Formula
C13H7Br2FO2
SMILES
O=C(Oc1ccc(F)cc1Br)c1cccc(Br)c1
Molecular Weight1
374.00
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Physical Properties

Property Value Unit Source
ΔfH°gas -309.90 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 34.36 kJ/mol Joback Calculated Property
IE 8.61 eV Relay (1.0) Calculated Property
log10WS -6.00 Relay (1.0) Calculated Property
logPoct/wat 4.570 Crippen Calculated Property
McVol 190.720 ml/mol McGowan Calculated Property
Inp 2152.50 NIST
Tboil 617.30 K Relay (1.0) Calculated Property
Tfus 338.64 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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

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

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

Sources

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