Chemical Properties of Diethylmalonic acid, 3-chlorobenzyl heptyl ester

Diethylmalonic acid, 3-chlorobenzyl heptyl ester

InChI
InChI=1S/C21H31ClO4/c1-4-7-8-9-10-14-25-19(23)21(5-2,6-3)20(24)26-16-17-12-11-13-18(22)15-17/h11-13,15H,4-10,14,16H2,1-3H3
InChI Key
MSGDETQJOZIBPV-UHFFFAOYSA-N
Formula
C21H31ClO4
SMILES
CCCCCCCOC(=O)C(CC)(CC)C(=O)OCc1cccc(Cl)c1
Molecular Weight1
382.92
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Physical Properties

Property Value Unit Source
ΔfusH° 49.32 kJ/mol Joback Calculated Property
log10WS -5.86 Relay (1.0) Calculated Property
logPoct/wat 5.703 Crippen Calculated Property
McVol 310.110 ml/mol McGowan Calculated Property
Pc 1168.02 kPa Joback Calculated Property
Inp 2444.00 NIST
Tboil 640.95 K Relay (1.0) Calculated Property
Tfus 279.22 K Relay (1.0) Calculated Property

Cheméo can also estimate 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 [952.33; 1027.38] J/mol×K [862.38; 1067.67] Show Hide
Cp,gas 952.33 J/mol×K 862.38 Joback Calculated Property
Cp,gas 967.78 J/mol×K 896.59 Joback Calculated Property
Cp,gas 981.99 J/mol×K 930.81 Joback Calculated Property
Cp,gas 995.01 J/mol×K 965.02 Joback Calculated Property
Cp,gas 1006.88 J/mol×K 999.24 Joback Calculated Property
Cp,gas 1017.65 J/mol×K 1033.45 Joback Calculated Property
Cp,gas 1027.38 J/mol×K 1067.67 Joback Calculated Property
η [0.0000246; 0.0005817] Pa×s [482.37; 862.38] Show Hide
η 0.0005817 Pa×s 482.37 Joback Calculated Property
η 0.0002529 Pa×s 545.70 Joback Calculated Property
η 0.0001308 Pa×s 609.04 Joback Calculated Property
η 0.0000766 Pa×s 672.38 Joback Calculated Property
η 0.0000492 Pa×s 735.71 Joback Calculated Property
η 0.0000339 Pa×s 799.04 Joback Calculated Property
η 0.0000246 Pa×s 862.38 Joback Calculated Property

Similar Compounds

Diethylmalonic acid, 3-chlorobenzyl dodecyl ester. Diethylmalonic acid, 3-chlorobenzyl heptadecyl ester. Diethylmalonic acid, 3-chlorobenzyl tridecyl ester. Diethylmalonic acid, 3-chlorobenzyl octyl ester. Diethylmalonic acid, 3-chlorobenzyl nonyl ester. Diethylmalonic acid, 3-chlorobenzyl tetradecyl ester. Diethylmalonic acid, 3-chlorobenzyl undecyl ester. Diethylmalonic acid, 3-chlorobenzyl hexadecyl ester. Diethylmalonic acid, 3-chlorobenzyl pentadecyl ester. Diethylmalonic acid, 3-chlorobenzyl hexyl ester. Diethylmalonic acid, 3-chlorobenzyl pentyl ester. Diethylmalonic acid, butyl 3-chlorobenzyl ester. Diethylmalonic acid, 3-chlorobenzyl propyl ester. Diethylmalonic acid, 4-chlorobenzyl nonyl ester. Diethylmalonic acid, 4-chlorobenzyl dodecyl ester.

Find more compounds similar to Diethylmalonic acid, 3-chlorobenzyl heptyl ester.

Sources

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