Chemical Properties of Diethylmalonic acid, 4-chlorobenzyl heptyl ester

Diethylmalonic acid, 4-chlorobenzyl heptyl ester

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InChI
InChI=1S/C21H31ClO4/c1-4-7-8-9-10-15-25-19(23)21(5-2,6-3)20(24)26-16-17-11-13-18(22)14-12-17/h11-14H,4-10,15-16H2,1-3H3
InChI Key
CTICXOHZAZWCAN-UHFFFAOYSA-N
Formula
C21H31ClO4
SMILES
CCCCCCCOC(=O)C(CC)(CC)C(=O)OCc1ccc(Cl)cc1
Molecular Weight1
382.92
Sources

Physical Properties

Property Value Unit Source
Δf -248.21 kJ/mol Joback Calculated Property
Δfgas -765.80 kJ/mol Joback Calculated Property
Δfus 46.15 kJ/mol Joback Calculated Property
Δvap 86.68 kJ/mol Joback Calculated Property
logPoct/wat 5.70 Crippen Calculated Property
Pc 1236.35 kPa Joback Calculated Property
Tboil 898.32 K Joback Calculated Property
Tc 1108.90 K Joback Calculated Property
Tfus 542.03 K Joback Calculated Property
Vc 1.19 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 964.91 J/mol×K 898.32 Joback Calculated Property
η 0.00 Pa×s 898.32 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
-Cl 1
=CH- (ring) 4
=C< (ring) 2
-CH2- 9
>C< 1
-CH3 3
>C=O (nonring) 2

Similar Compounds

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

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

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