Chemical Properties of Diethylmalonic acid, di(4-bromo-2-methoxyphenyl) ester

Diethylmalonic acid, di(4-bromo-2-methoxyphenyl) ester

InChI
InChI=1S/C21H22Br2O6/c1-5-21(6-2,19(24)28-15-9-7-13(22)11-17(15)26-3)20(25)29-16-10-8-14(23)12-18(16)27-4/h7-12H,5-6H2,1-4H3
InChI Key
IICCVYBQMZFDFT-UHFFFAOYSA-N
Formula
C21H22Br2O6
SMILES
CCC(CC)(C(=O)Oc1ccc(Br)cc1OC)C(=O)Oc1ccc(Br)cc1OC
Molecular Weight1
530.20
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Physical Properties

Property Value Unit Source
ΔfusH° 50.94 kJ/mol Joback Calculated Property
IE 7.94 eV Relay (1.0) Calculated Property
logPoct/wat 5.546 Crippen Calculated Property
McVol 320.850 ml/mol McGowan Calculated Property
Inp [3201.00; 3201.00]   Show Hide
Inp 3201.00 NIST
Inp 3201.00 NIST
Tboil 703.61 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, 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 [936.61; 961.38] J/mol×K [1043.73; 1290.67] Show Hide
Cp,gas 936.61 J/mol×K 1043.73 Joback Calculated Property
Cp,gas 944.57 J/mol×K 1084.89 Joback Calculated Property
Cp,gas 950.94 J/mol×K 1126.04 Joback Calculated Property
Cp,gas 955.76 J/mol×K 1167.20 Joback Calculated Property
Cp,gas 959.08 J/mol×K 1208.36 Joback Calculated Property
Cp,gas 960.94 J/mol×K 1249.52 Joback Calculated Property
Cp,gas 961.38 J/mol×K 1290.67 Joback Calculated Property
η [0.0000092; 0.0000703] Pa×s [680.49; 1043.73] Show Hide
η 0.0000703 Pa×s 680.49 Joback Calculated Property
η 0.0000436 Pa×s 741.03 Joback Calculated Property
η 0.0000291 Pa×s 801.57 Joback Calculated Property
η 0.0000205 Pa×s 862.11 Joback Calculated Property
η 0.0000151 Pa×s 922.65 Joback Calculated Property
η 0.0000116 Pa×s 983.19 Joback Calculated Property
η 0.0000092 Pa×s 1043.73 Joback Calculated Property

Similar Compounds

Diethylmalonic acid, monochloride, 4-bromo-2-methoxyphenyl ester. Diethylmalonic acid, 4-bromo-2-methoxyphenyl ethyl ester. Diethylmalonic acid, 4-bromo-2-methoxyphenyl propyl ester. Diethylmalonic acid, 4-bromo-2-methoxyphenyl isobutyl ester. Diethylmalonic acid, 4-bromo-2-methoxyphenyl butyl ester. 2-Ethylbutyric acid, 4-bromo-2-methoxyphenyl ester. Diethylmalonic acid, di(2,6-dimethoxyphenyl) ester. Diethylmalonic acid, di(4-fluoro-2-methoxyphenyl) ester. Diethylmalonic acid, 4-bromo-2-methoxyphenyl pentyl ester. Diethylmalonic acid, 4-bromo-2-methoxyphenyl hexyl ester. Diethylmalonic acid, 4-bromo-2-methoxyphenyl nonyl ester. Diethylmalonic acid, 4-bromo-2-methoxyphenyl heptyl ester. Diethylmalonic acid, 4-bromo-2-methoxyphenyl decyl ester. Diethylmalonic acid, 4-bromo-2-methoxyphenyl octyl ester. Diethylmalonic acid, 4-bromo-2-methoxyphenyl dodecyl ester.

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

Sources

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