Chemical Properties of Diethylmalonic acid, 4-chlorobenzyl propyl ester

Diethylmalonic acid, 4-chlorobenzyl propyl ester

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InChI
InChI=1S/C17H23ClO4/c1-4-11-21-15(19)17(5-2,6-3)16(20)22-12-13-7-9-14(18)10-8-13/h7-10H,4-6,11-12H2,1-3H3
InChI Key
RZZPEWZVWQVUCO-UHFFFAOYSA-N
Formula
C17H23ClO4
SMILES
CCCOC(=O)C(CC)(CC)C(=O)OCc1ccc(Cl)cc1
Molecular Weight1
326.82
Sources

Physical Properties

Property Value Unit Source
Δf -281.89 kJ/mol Joback Calculated Property
Δfgas -683.24 kJ/mol Joback Calculated Property
Δfus 35.79 kJ/mol Joback Calculated Property
Δvap 77.77 kJ/mol Joback Calculated Property
logPoct/wat 4.14 Crippen Calculated Property
Pc 1652.46 kPa Joback Calculated Property
Tboil 806.80 K Joback Calculated Property
Tc 1018.69 K Joback Calculated Property
Tfus 496.95 K Joback Calculated Property
Vc 0.97 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 732.92 J/mol×K 806.8 Joback Calculated Property
η 0.00 Pa×s 806.8 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
-CH3 3
=CH- (ring) 4
=C< (ring) 2
-CH2- 5
-Cl 1
>C< 1
>C=O (nonring) 2

Similar Compounds

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

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