Chemical Properties of m-Methoxybenzoic acid, 2-bromo-4-fluorophenyl ester

m-Methoxybenzoic acid, 2-bromo-4-fluorophenyl ester

InChI
InChI=1S/C14H10BrFO3/c1-18-11-4-2-3-9(7-11)14(17)19-13-6-5-10(16)8-12(13)15/h2-8H,1H3
InChI Key
DJTKDHRPVWRPQY-UHFFFAOYSA-N
Formula
C14H10BrFO3
SMILES
COc1cccc(C(=O)Oc2ccc(F)cc2Br)c1
Molecular Weight1
325.13
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Physical Properties

Property Value Unit Source
ΔfH°gas -458.55 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 32.85 kJ/mol Joback Calculated Property
ΔvapH° 91.97 kJ/mol Relay (1.0) Calculated Property
IE 8.20 eV Relay (1.0) Calculated Property
logPoct/wat 3.816 Crippen Calculated Property
McVol 193.180 ml/mol McGowan Calculated Property
Tboil 619.10 K Relay (1.0) Calculated Property
Tfus 329.82 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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 [477.04; 534.13] J/mol×K [734.29; 973.59] Show Hide
Cp,gas 477.04 J/mol×K 734.29 Joback Calculated Property
Cp,gas 489.21 J/mol×K 774.17 Joback Calculated Property
Cp,gas 500.28 J/mol×K 814.06 Joback Calculated Property
Cp,gas 510.29 J/mol×K 853.94 Joback Calculated Property
Cp,gas 519.25 J/mol×K 893.83 Joback Calculated Property
Cp,gas 527.19 J/mol×K 933.71 Joback Calculated Property
Cp,gas 534.13 J/mol×K 973.59 Joback Calculated Property

Similar Compounds

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

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

Sources

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