Chemical Properties of p-Toluic acid, 2-bromo-4-fluorophenyl ester

p-Toluic acid, 2-bromo-4-fluorophenyl ester

InChI
InChI=1S/C14H10BrFO2/c1-9-2-4-10(5-3-9)14(17)18-13-7-6-11(16)8-12(13)15/h2-8H,1H3
InChI Key
YSMOUTIJYJDMQH-UHFFFAOYSA-N
Formula
C14H10BrFO2
SMILES
Cc1ccc(C(=O)Oc2ccc(F)cc2Br)cc1
Molecular Weight1
309.13
Other Names
  • p-Toluylic acid, 2-bromo-4-fluorophenyl ester
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Physical Properties

Property Value Unit Source
ΔfH°gas -362.29 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 31.67 kJ/mol Joback Calculated Property
IE 8.36 eV Relay (1.0) Calculated Property
logPoct/wat 4.116 Crippen Calculated Property
McVol 187.310 ml/mol McGowan Calculated Property
Inp [1907.40; 1907.40]   Show Hide
Inp 1907.40 NIST
Inp 1907.40 NIST
Tboil 605.02 K Relay (1.0) Calculated Property
Tfus 341.46 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, 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 [452.72; 512.34] J/mol×K [711.87; 954.87] Show Hide
Cp,gas 452.72 J/mol×K 711.87 Joback Calculated Property
Cp,gas 465.25 J/mol×K 752.37 Joback Calculated Property
Cp,gas 476.68 J/mol×K 792.87 Joback Calculated Property
Cp,gas 487.06 J/mol×K 833.37 Joback Calculated Property
Cp,gas 496.43 J/mol×K 873.87 Joback Calculated Property
Cp,gas 504.84 J/mol×K 914.37 Joback Calculated Property
Cp,gas 512.34 J/mol×K 954.87 Joback Calculated Property

Similar Compounds

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

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

Sources

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