Chemical Properties of Diethylmalonic acid, 4-chlorobenzyl ethyl ester

Diethylmalonic acid, 4-chlorobenzyl ethyl ester

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InChI
InChI=1S/C16H21ClO4/c1-4-16(5-2,14(18)20-6-3)15(19)21-11-12-7-9-13(17)10-8-12/h7-10H,4-6,11H2,1-3H3
InChI Key
GBYJIXOOZLRTES-UHFFFAOYSA-N
Formula
C16H21ClO4
SMILES
CCOC(=O)C(CC)(CC)C(=O)OCc1ccc(Cl)cc1
Molecular Weight1
312.79
Sources

Physical Properties

Property Value Unit Source
Δf -290.31 kJ/mol Joback Calculated Property
Δfgas -662.60 kJ/mol Joback Calculated Property
Δfus 33.20 kJ/mol Joback Calculated Property
Δvap 75.55 kJ/mol Joback Calculated Property
logPoct/wat 3.75 Crippen Calculated Property
Pc 1789.39 kPa Joback Calculated Property
Tboil 783.92 K Joback Calculated Property
Tc 997.75 K Joback Calculated Property
Tfus 485.68 K Joback Calculated Property
Vc 0.91 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 677.07 J/mol×K 783.92 Joback Calculated Property
η 0.00 Pa×s 783.92 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
-Cl 1
=CH- (ring) 4
=C< (ring) 2
-CH2- 4
>C< 1
-CH3 3
>C=O (nonring) 2

Similar Compounds

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

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