Chemical Properties of 4-Bromobenzoic acid, 2,3,4,6-tetrachlorophenyl ester

4-Bromobenzoic acid, 2,3,4,6-tetrachlorophenyl ester

InChI
InChI=1S/C13H5BrCl4O2/c14-7-3-1-6(2-4-7)13(19)20-12-9(16)5-8(15)10(17)11(12)18/h1-5H
InChI Key
XVVROJFYSIDWLV-UHFFFAOYSA-N
Formula
C13H5BrCl4O2
SMILES
O=C(Oc1c(Cl)cc(Cl)c(Cl)c1Cl)c1ccc(Br)cc1
Molecular Weight1
414.89
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Physical Properties

Property Value Unit Source
ΔfusH° 40.42 kJ/mol Joback Calculated Property
IE 8.74 eV Relay (1.0) Calculated Property
logPoct/wat 6.282 Crippen Calculated Property
McVol 220.410 ml/mol McGowan Calculated Property
Inp [2669.00; 2669.00]   Show Hide
Inp 2669.00 NIST
Inp 2669.00 NIST
Tboil 639.82 K Relay (1.0) Calculated Property
Tfus 399.97 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 [467.89; 499.98] J/mol×K [867.27; 1136.20] Show Hide
Cp,gas 467.89 J/mol×K 867.27 Joback Calculated Property
Cp,gas 475.36 J/mol×K 912.09 Joback Calculated Property
Cp,gas 481.93 J/mol×K 956.91 Joback Calculated Property
Cp,gas 487.64 J/mol×K 1001.74 Joback Calculated Property
Cp,gas 492.52 J/mol×K 1046.56 Joback Calculated Property
Cp,gas 496.62 J/mol×K 1091.38 Joback Calculated Property
Cp,gas 499.98 J/mol×K 1136.20 Joback Calculated Property
η [0.0000975; 0.0003773] Pa×s [603.35; 867.27] Show Hide
η 0.0003773 Pa×s 603.35 Joback Calculated Property
η 0.0002789 Pa×s 647.34 Joback Calculated Property
η 0.0002142 Pa×s 691.32 Joback Calculated Property
η 0.0001698 Pa×s 735.31 Joback Calculated Property
η 0.0001382 Pa×s 779.30 Joback Calculated Property
η 0.0001150 Pa×s 823.28 Joback Calculated Property
η 0.0000975 Pa×s 867.27 Joback Calculated Property

Similar Compounds

4-Bromobenzoic acid, 2,4,5-trichlorophenyl ester. 3-Bromobenzoic acid, 2,3,4,6-tetrachlorophenyl ester. Benzoic acid, 2,3,4,6-tetrachlorophenyl ester. 4-Chlorobenzoic acid, 2,3,4,6-tetrachlorophenyl ester. 2-Bromobenzoic acid, 2,3,4,6-tetrachlorophenyl ester. 4-Fluorobenzoic acid, 2,3,4,6-tetrachlorophenyl ester. 4-Methylbenzoic acid, 2,3,4,6-tetrachlorophenyl ester. 3-Bromobenzoic acid, 2,4,5-trichlorophenyl ester. 2-Bromobenzoic acid, 2,4,5-trichlorophenyl ester. 4-Bromobenzoic acid, 2-chlorophenyl ester. 2-Chlorobenzoic acid, 2,3,4,6-tetrachlorophenyl ester. 4-Chlorobenzoic acid, 2,4,5-trichlorophenyl ester. 3-Fluorobenzoic acid, 2,3,4,6-tetrachlorophenyl ester. Benzoic acid, 2,4,5-trichlorophenyl ester. 1-Naphthoic acid, 2,3,4,6-tetrachlorophenyl ester.

Find more compounds similar to 4-Bromobenzoic acid, 2,3,4,6-tetrachlorophenyl ester.

Sources

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