Chemical Properties of Dimethylmalonic acid, 2,4-dichloro-6-formylphenyl isohexyl ester

Dimethylmalonic acid, 2,4-dichloro-6-formylphenyl isohexyl ester

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InChI
InChI=1S/C18H22Cl2O5/c1-11(2)6-5-7-24-16(22)18(3,4)17(23)25-15-12(10-21)8-13(19)9-14(15)20/h8-11H,5-7H2,1-4H3
InChI Key
YMQHVEFOVRHIHC-UHFFFAOYSA-N
Formula
C18H22Cl2O5
SMILES
CC(C)CCCOC(=O)C(C)(C)C(=O)Oc1c(Cl)cc(Cl)cc1C=O
Molecular Weight1
389.27
Sources

Physical Properties

Property Value Unit Source
Δf -406.62 kJ/mol Joback Calculated Property
Δfgas -833.42 kJ/mol Joback Calculated Property
Δfus 40.57 kJ/mol Joback Calculated Property
Δvap 92.04 kJ/mol Joback Calculated Property
logPoct/wat 4.72 Crippen Calculated Property
Pc 1548.78 kPa Joback Calculated Property
Tboil 925.29 K Joback Calculated Property
Tc 1148.08 K Joback Calculated Property
Tfus 590.18 K Joback Calculated Property
Vc 1.08 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 822.68 J/mol×K 925.29 Joback Calculated Property
η 0.00 Pa×s 925.29 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Dimethylmalonic acid, 2,4-dichloro-6-formylphenyl hexyl ester. Dimethylmalonic acid, 2,4-dichloro-6-formylphenyl pentyl ester. Dimethylmalonic acid, butyl 2,4-dichloro-6-formylphenyl ester. Dimethylmalonic acid, 2,4-dichloro-6-formylphenyl nonyl ester. Dimethylmalonic acid, 2,4-dichloro-6-formylphenyl heptyl ester. Dimethylmalonic acid, 2,4-dichloro-6-formylphenyl octyl ester. Dimethylmalonic acid, decyl 2,4-dichloro-6-formylphenyl ester. Dimethylmalonic acid, 2,4-dichloro-6-formylphenyl propyl ester. Dimethylmalonic acid, 2,4-dichloro-6-formylphenyl isobutyl ester. Diethylmalonic acid, 2,4-dichloro-6-formylphenyl pentyl ester. Diethylmalonic acid, 2,4-dichloro-6-formylphenyl hexyl ester. Diethylmalonic acid, 2,4-dichloro-6-formylphenyl propyl ester. Diethylmalonic acid, butyl 2,4-dichloro-6-formylphenyl ester. Diethylmalonic acid, 2,4-dichloro-6-formylphenyl undecyl ester. Diethylmalonic acid, 2,4-dichloro-6-formylphenyl heptyl ester.

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