Chemical Properties of Diethylmalonic acid, 4-bromobenzyl isobutyl ester

Diethylmalonic acid, 4-bromobenzyl isobutyl ester

InChI
InChI=1S/C18H25BrO4/c1-5-18(6-2,16(20)22-11-13(3)4)17(21)23-12-14-7-9-15(19)10-8-14/h7-10,13H,5-6,11-12H2,1-4H3
InChI Key
ACGXGDSSMKVNNQ-UHFFFAOYSA-N
Formula
C18H25BrO4
SMILES
CCC(CC)(C(=O)OCc1ccc(Br)cc1)C(=O)OCC(C)C
Molecular Weight1
385.29
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Physical Properties

Property Value Unit Source
ΔfusH° 39.11 kJ/mol Joback Calculated Property
ΔvapH° 95.82 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 4.498 Crippen Calculated Property
McVol 273.100 ml/mol McGowan Calculated Property
Inp [2235.00; 2235.00]   Show Hide
Inp 2235.00 NIST
Inp 2235.00 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, 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [792.67; 863.17] J/mol×K [822.03; 1037.51] Show Hide
Cp,gas 792.67 J/mol×K 822.03 Joback Calculated Property
Cp,gas 807.30 J/mol×K 857.94 Joback Calculated Property
Cp,gas 820.71 J/mol×K 893.86 Joback Calculated Property
Cp,gas 832.94 J/mol×K 929.77 Joback Calculated Property
Cp,gas 844.06 J/mol×K 965.68 Joback Calculated Property
Cp,gas 854.12 J/mol×K 1001.59 Joback Calculated Property
Cp,gas 863.17 J/mol×K 1037.51 Joback Calculated Property
η [0.0000327; 0.0007507] Pa×s [463.44; 822.03] Show Hide
η 0.0007507 Pa×s 463.44 Joback Calculated Property
η 0.0003304 Pa×s 523.21 Joback Calculated Property
η 0.0001720 Pa×s 582.97 Joback Calculated Property
η 0.0001012 Pa×s 642.74 Joback Calculated Property
η 0.0000651 Pa×s 702.50 Joback Calculated Property
η 0.0000449 Pa×s 762.26 Joback Calculated Property
η 0.0000327 Pa×s 822.03 Joback Calculated Property

Similar Compounds

Diethylmalonic acid, 4-bromobenzyl propyl ester. Diethylmalonic acid, 4-bromobenzyl butyl ester. Diethylmalonic acid, 3-bromobenzyl isobutyl ester. Diethylmalonic acid, 4-bromobenzyl pentyl ester. Diethylmalonic acid, 4-bromobenzyl hexyl ester. Diethylmalonic acid, 4-bromobenzyl heptyl ester. Diethylmalonic acid, 4-chlorobenzyl isobutyl ester. Diethylmalonic acid, isobutyl 4-trifluoromethylbenzyl ester. Diethylmalonic acid, 3-bromobenzyl propyl ester. Diethylmalonic acid, isobutyl 3-methylbenzyl ester. Diethylmalonic acid, 3-bromobenzyl butyl ester. Diethylmalonic acid, 3-chlorobenzyl isobutyl ester. Diethylmalonic acid, 3,4-difluorobenzyl isobutyl ester. Diethylmalonic acid, 3-bromobenzyl pentyl ester. Diethylmalonic acid, 3-bromobenzyl ethyl ester.

Find more compounds similar to Diethylmalonic acid, 4-bromobenzyl isobutyl ester.

Sources

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