Chemical Properties of Diethylmalonic acid, 4-bromobenzyl pentyl ester

Diethylmalonic acid, 4-bromobenzyl pentyl ester

InChI
InChI=1S/C19H27BrO4/c1-4-7-8-13-23-17(21)19(5-2,6-3)18(22)24-14-15-9-11-16(20)12-10-15/h9-12H,4-8,13-14H2,1-3H3
InChI Key
PVWCGEBPYYXGHP-UHFFFAOYSA-N
Formula
C19H27BrO4
SMILES
CCCCCOC(=O)C(CC)(CC)C(=O)OCc1ccc(Br)cc1
Molecular Weight1
399.32
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Physical Properties

Property Value Unit Source
ΔfusH° 45.23 kJ/mol Joback Calculated Property
log10WS -5.45 Relay (1.0) Calculated Property
logPoct/wat 5.032 Crippen Calculated Property
McVol 287.190 ml/mol McGowan Calculated Property
Pc 1447.94 kPa Joback Calculated Property
Inp [2366.00; 2366.00]   Show Hide
Inp 2366.00 NIST
Inp 2366.00 NIST
Tboil 644.69 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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 [849.29; 920.02] J/mol×K [845.35; 1056.91] Show Hide
Cp,gas 849.29 J/mol×K 845.35 Joback Calculated Property
Cp,gas 863.88 J/mol×K 880.61 Joback Calculated Property
Cp,gas 877.28 J/mol×K 915.87 Joback Calculated Property
Cp,gas 889.54 J/mol×K 951.13 Joback Calculated Property
Cp,gas 900.71 J/mol×K 986.39 Joback Calculated Property
Cp,gas 910.86 J/mol×K 1021.65 Joback Calculated Property
Cp,gas 920.02 J/mol×K 1056.91 Joback Calculated Property
η [0.0000303; 0.0005564] Pa×s [489.71; 845.35] Show Hide
η 0.0005564 Pa×s 489.71 Joback Calculated Property
η 0.0002637 Pa×s 548.98 Joback Calculated Property
η 0.0001446 Pa×s 608.26 Joback Calculated Property
η 0.0000882 Pa×s 667.53 Joback Calculated Property
η 0.0000583 Pa×s 726.80 Joback Calculated Property
η 0.0000410 Pa×s 786.08 Joback Calculated Property
η 0.0000303 Pa×s 845.35 Joback Calculated Property

Similar Compounds

Diethylmalonic acid, 4-bromobenzyl hexyl ester. Diethylmalonic acid, 4-bromobenzyl heptyl ester. Diethylmalonic acid, 4-bromobenzyl butyl ester. Diethylmalonic acid, 3-bromobenzyl pentyl ester. Diethylmalonic acid, 4-bromobenzyl propyl ester. Diethylmalonic acid, 3-bromobenzyl hexyl ester. Diethylmalonic acid, 3-bromobenzyl hexadecyl ester. Diethylmalonic acid, 3-bromobenzyl octadecyl ester. Diethylmalonic acid, 3-bromobenzyl pentadecyl ester. Diethylmalonic acid, 3-bromobenzyl heptadecyl ester. Diethylmalonic acid, 3-bromobenzyl nonyl ester. Diethylmalonic acid, 3-bromobenzyl heptyl ester. Diethylmalonic acid, 3-bromobenzyl decyl ester. Diethylmalonic acid, 3-bromobenzyl tetradecyl ester. Diethylmalonic acid, 3-bromobenzyl dodecyl ester.

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

Sources

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