Chemical Properties of Dimethylmalonic acid, di(2-bromo-4-fluorophenyl) ester

Dimethylmalonic acid, di(2-bromo-4-fluorophenyl) ester

InChI
InChI=1S/C17H12Br2F2O4/c1-17(2,15(22)24-13-5-3-9(20)7-11(13)18)16(23)25-14-6-4-10(21)8-12(14)19/h3-8H,1-2H3
InChI Key
RKMAWGRZJFHJKW-UHFFFAOYSA-N
Formula
C17H12Br2F2O4
SMILES
CC(C)(C(=O)Oc1ccc(F)cc1Br)C(=O)Oc1ccc(F)cc1Br
Molecular Weight1
478.08
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Physical Properties

Property Value Unit Source
ΔfusH° 41.20 kJ/mol Joback Calculated Property
IE 8.54 eV Relay (1.0) Calculated Property
logPoct/wat 5.027 Crippen Calculated Property
McVol 256.290 ml/mol McGowan Calculated Property
Inp 2423.00 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 [683.42; 724.23] J/mol×K [941.85; 1187.66] Show Hide
Cp,gas 683.42 J/mol×K 941.85 Joback Calculated Property
Cp,gas 692.46 J/mol×K 982.82 Joback Calculated Property
Cp,gas 700.51 J/mol×K 1023.79 Joback Calculated Property
Cp,gas 707.64 J/mol×K 1064.76 Joback Calculated Property
Cp,gas 713.93 J/mol×K 1105.72 Joback Calculated Property
Cp,gas 719.44 J/mol×K 1146.69 Joback Calculated Property
Cp,gas 724.23 J/mol×K 1187.66 Joback Calculated Property

Similar Compounds

Dimethylmalonic acid, monochloride, 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 octyl ester. Dimethylmalonic acid, 2-bromo-4-fluorophenyl heptyl ester. Dimethylmalonic acid, 2-bromo-4-fluorophenyl isohexyl ester. Cyclobutanecarboxylic acid, 2-bromo-4-fluorophenyl ester. Sebacic acid, di(2-bromo-4-fluorophenyl) ester. Heptafluorobutyric acid, 2-bromo-4-fluorophenyl ester. Glutaric acid, 2-fluorophenyl 2-bromo-4-fluorophenyl ester. Succinic acid, 2-bromo-4-fluorophenyl 3-fluorophenyl ester.

Find more compounds similar to Dimethylmalonic acid, di(2-bromo-4-fluorophenyl) ester.

Sources

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