Chemical Properties of Diethylmalonic acid, 2,4-dichloronaphth-1-yl pentyl ester

Diethylmalonic acid, 2,4-dichloronaphth-1-yl pentyl ester

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InChI
InChI=1S/C22H26Cl2O4/c1-4-7-10-13-27-20(25)22(5-2,6-3)21(26)28-19-16-12-9-8-11-15(16)17(23)14-18(19)24/h8-9,11-12,14H,4-7,10,13H2,1-3H3
InChI Key
IPUBKCSOFFDYQO-UHFFFAOYSA-N
Formula
C22H26Cl2O4
SMILES
CCCCCOC(=O)C(CC)(CC)C(=O)Oc1c(Cl)cc(Cl)c2ccccc21
Molecular Weight1
425.35
Sources

Physical Properties

Property Value Unit Source
Δf -164.33 kJ/mol Joback Calculated Property
Δfgas -634.05 kJ/mol Joback Calculated Property
Δfus 49.18 kJ/mol Joback Calculated Property
Δvap 96.25 kJ/mol Joback Calculated Property
logPoct/wat 6.59 Crippen Calculated Property
Pc 1310.85 kPa Joback Calculated Property
Tboil 987.57 K Joback Calculated Property
Tc 1217.90 K Joback Calculated Property
Tfus 640.96 K Joback Calculated Property
Vc 1.22 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 964.69 J/mol×K 987.57 Joback Calculated Property
η 0.00 Pa×s 987.57 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
-Cl 2
=CH- (ring) 5
=C< (ring) 5
-CH2- 6
>C< 1
-CH3 3
>C=O (nonring) 2

Similar Compounds

Diethylmalonic acid, butyl 2,4-dichloronaphth-1-yl ester. Diethylmalonic acid, decyl 2,4-dichloronaphth-1-yl ester. Diethylmalonic acid, 2,4-dichloronaphth-1-yl undecyl ester. Diethylmalonic acid, 2,4-dichloronaphth-1-yl octyl ester. Diethylmalonic acid, 2,4-dichloronaphth-1-yl nonyl ester. Diethylmalonic acid, 2,4-dichlorophenyl heptyl ester. Diethylmalonic acid, 2,4-dichlorophenyl nonyl ester. Diethylmalonic acid, 2,4-dichlorophenyl pentyl ester. Diethylmalonic acid, butyl 2,4-dichlorophenyl ester. Diethylmalonic acid, 2,4-dichlorophenyl propyl ester. Diethylmalonic acid, 2,4-dichlorophenyl isobutyl ester. Diethylmalonic acid, decyl 2,4,6-trichlorophenyl ester. Diethylmalonic acid, nonyl 2,4,6-trichlorophenyl ester. Diethylmalonic acid, heptyl 2,4,6-trichlorophenyl ester. Diethylmalonic acid, 2,4-dichlorophenyl ethyl ester.

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