Chemical Properties of Diethylmalonic acid, 4-chlorobenzyl isobutyl ester

Diethylmalonic acid, 4-chlorobenzyl isobutyl ester

InChI
InChI=1S/C18H25ClO4/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
WJYIIZVVQAGCKC-UHFFFAOYSA-N
Formula
C18H25ClO4
SMILES
CCC(CC)(C(=O)OCc1ccc(Cl)cc1)C(=O)OCC(C)C
Molecular Weight1
340.85
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Physical Properties

Property Value Unit Source
ΔfH°gas -810.70 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 38.03 kJ/mol Joback Calculated Property
ΔvapH° 94.59 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 4.389 Crippen Calculated Property
McVol 267.840 ml/mol McGowan Calculated Property
Inp 2125.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, 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 [779.40; 853.51] J/mol×K [793.30; 1002.36] Show Hide
Cp,gas 779.40 J/mol×K 793.30 Joback Calculated Property
Cp,gas 794.66 J/mol×K 828.14 Joback Calculated Property
Cp,gas 808.71 J/mol×K 862.99 Joback Calculated Property
Cp,gas 821.57 J/mol×K 897.83 Joback Calculated Property
Cp,gas 833.30 J/mol×K 932.68 Joback Calculated Property
Cp,gas 843.93 J/mol×K 967.52 Joback Calculated Property
Cp,gas 853.51 J/mol×K 1002.36 Joback Calculated Property
η [0.0000363; 0.0010494] Pa×s [433.56; 793.30] Show Hide
η 0.0010494 Pa×s 433.56 Joback Calculated Property
η 0.0004261 Pa×s 493.52 Joback Calculated Property
η 0.0002103 Pa×s 553.47 Joback Calculated Property
η 0.0001192 Pa×s 613.43 Joback Calculated Property
η 0.0000747 Pa×s 673.39 Joback Calculated Property
η 0.0000506 Pa×s 733.34 Joback Calculated Property
η 0.0000363 Pa×s 793.30 Joback Calculated Property

Similar Compounds

Diethylmalonic acid, 4-chlorobenzyl propyl ester. Diethylmalonic acid, butyl 4-chlorobenzyl ester. Diethylmalonic acid, 3-chlorobenzyl isobutyl ester. Diethylmalonic acid, 4-chlorobenzyl hexyl ester. Diethylmalonic acid, 4-chlorobenzyl tetradecyl ester. Diethylmalonic acid, 4-chlorobenzyl decyl ester. Diethylmalonic acid, 4-chlorobenzyl octyl ester. Diethylmalonic acid, 4-chlorobenzyl dodecyl ester. Diethylmalonic acid, 4-chlorobenzyl nonyl ester. Diethylmalonic acid, 4-chlorobenzyl undecyl ester. Diethylmalonic acid, 4-chlorobenzyl tridecyl ester. Diethylmalonic acid, 4-chlorobenzyl heptyl ester. Diethylmalonic acid, 4-bromobenzyl isobutyl ester. Diethylmalonic acid, 4-chlorobenzyl ethyl ester. Diethylmalonic acid, isobutyl 4-trifluoromethylbenzyl ester.

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

Sources

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