Chemical Properties of Glutaric acid, 2-fluorophenyl 4-bromo-2-methoxyphenyl ester

Glutaric acid, 2-fluorophenyl 4-bromo-2-methoxyphenyl ester

InChI
InChI=1S/C18H16BrFO5/c1-23-16-11-12(19)9-10-15(16)25-18(22)8-4-7-17(21)24-14-6-3-2-5-13(14)20/h2-3,5-6,9-11H,4,7-8H2,1H3
InChI Key
KFQSWCAOTWPLHN-UHFFFAOYSA-N
Formula
C18H16BrFO5
SMILES
COc1cc(Br)ccc1OC(=O)CCCC(=O)Oc1ccccc1F
Molecular Weight1
411.22
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Physical Properties

Property Value Unit Source
ΔfusH° 47.58 kJ/mol Joback Calculated Property
ΔvapH° 111.72 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 4.278 Crippen Calculated Property
McVol 256.980 ml/mol McGowan Calculated Property
Inp [2796.00; 2796.00]   Show Hide
Inp 2796.00 NIST
Inp 2796.00 NIST
Tboil 671.27 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [350.73; 752.65] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A5.22130e+01
Coefficient B1.25472e+00
Coefficient C-6.04280e-04
Coefficient D5.00000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 350.73 J/mol×K 273.00 Calculated Property
Cp,gas 422.69 J/mol×K 353.78 Calculated Property
Cp,gas 487.45 J/mol×K 434.56 Calculated Property
Cp,gas 545.18 J/mol×K 515.33 Calculated Property
Cp,gas 596.03 J/mol×K 596.11 Calculated Property
Cp,gas 640.16 J/mol×K 676.89 Calculated Property
Cp,gas 677.73 J/mol×K 757.67 Calculated Property
Cp,gas 708.89 J/mol×K 838.44 Calculated Property
Cp,gas 733.82 J/mol×K 919.22 Calculated Property
Cp,gas 752.65 J/mol×K 1000.00 Calculated Property

Similar Compounds

Glutaric acid, 2-chloro-6-fluorophenyl 4-bromo-2-methoxyphenyl ester. Succinic acid, 2-fluorophenyl 4-bromo-2-methoxyphenyl ester. Glutaric acid, di(4-bromo-2-methoxyphenyl) ester. Glutaric acid, 2-fluorophenyl 2-methoxyphenyl ester. Glutaric acid, 2-fluorophenyl 2,6-dimethoxyphenyl ester. Glutaric acid, 2-fluorophenyl 4-fluoro-2-methoxyphenyl ester. Glutaric acid, 3-chlorophenyl 4-bromo-2-methoxyphenyl ester. Glutaric acid, 2-fluorophenyl 4-chloro-2-methoxyphenyl ester. Glutaric acid, 4-bromo-2-methoxyphenyl ethyl ester. Glutaric acid, 2-chloro-6-fluorophenyl 2-methoxyphenyl ester. Glutaric acid, 2,2-dichloroethyl 4-bromo-2-methoxyphenyl ester. Glutaric acid, 2-fluorophenyl 5-methyl-2-methoxybenzyl ester. Glutaric acid, 2-fluorophenyl 2-isopropoxyphenyl ester. Glutaric acid, but-3-yn-2-yl 4-bromo-2-methoxyphenyl ester. Glutaric acid, 2-chloro-6-fluorophenyl 4-fluoro-2-methoxyphenyl ester.

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

Sources

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