Chemical Properties of Dimethylmalonic acid, monochloride, 2-bromo-4-fluorophenyl ester

Dimethylmalonic acid, monochloride, 2-bromo-4-fluorophenyl ester

InChI
InChI=1S/C11H9BrClFO3/c1-11(2,9(13)15)10(16)17-8-4-3-6(14)5-7(8)12/h3-5H,1-2H3
InChI Key
ROUGUNDOWOMSGL-UHFFFAOYSA-N
Formula
C11H9BrClFO3
SMILES
CC(C)(C(=O)Cl)C(=O)Oc1ccc(F)cc1Br
Molecular Weight1
323.54
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Physical Properties

Property Value Unit Source
ΔfusH° 27.04 kJ/mol Joback Calculated Property
IE 8.85 eV Relay (1.0) Calculated Property
logPoct/wat 3.285 Crippen Calculated Property
McVol 182.610 ml/mol McGowan Calculated Property
Inp [1663.00; 1663.00]   Show Hide
Inp 1663.00 NIST
Inp 1663.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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 [428.81; 477.76] J/mol×K [717.51; 952.74] Show Hide
Cp,gas 428.81 J/mol×K 717.51 Joback Calculated Property
Cp,gas 438.94 J/mol×K 756.72 Joback Calculated Property
Cp,gas 448.21 J/mol×K 795.92 Joback Calculated Property
Cp,gas 456.67 J/mol×K 835.13 Joback Calculated Property
Cp,gas 464.38 J/mol×K 874.33 Joback Calculated Property
Cp,gas 471.40 J/mol×K 913.54 Joback Calculated Property
Cp,gas 477.76 J/mol×K 952.74 Joback Calculated Property

Similar Compounds

Dimethylmalonic acid, di(2-bromo-4-fluorophenyl) ester. Dimethylmalonic acid, 2-bromo-4-fluorophenyl ethyl ester. Dimethylmalonic acid, 2-bromo-4-fluorophenyl propyl ester. Dimethylmalonic acid, 2-bromo-4-fluorophenyl isobutyl ester. Dimethylmalonic acid, 2-bromo-4-fluorophenyl butyl ester. Dimethylmalonic acid, 2-bromo-4-fluorophenyl pentyl ester. Dimethylmalonic acid, 2-bromo-4-fluorophenyl nonyl ester. Dimethylmalonic acid, 2-bromo-4-fluorophenyl heptyl ester. Dimethylmalonic acid, 2-bromo-4-fluorophenyl octyl ester. Succinic acid, 2-bromo-4-fluorophenyl 3-fluorophenyl ester. Sebacic acid, di(2-bromo-4-fluorophenyl) ester. Dimethylmalonic acid, 2-bromo-4-fluorophenyl isohexyl ester. Glutaric acid, 3-chlorophenyl 2-bromo-4-fluorophenyl ester. Cyclobutanecarboxylic acid, 2-bromo-4-fluorophenyl ester. Glutaric acid, 2-fluorophenyl 2-bromo-4-fluorophenyl ester.

Find more compounds similar to Dimethylmalonic acid, monochloride, 2-bromo-4-fluorophenyl ester.

Sources

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