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

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

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InChI
InChI=1S/C16H18Cl2O5/c1-4-5-6-22-14(20)16(2,3)15(21)23-13-10(9-19)7-11(17)8-12(13)18/h7-9H,4-6H2,1-3H3
InChI Key
UUTYWDOINDULJK-UHFFFAOYSA-N
Formula
C16H18Cl2O5
SMILES
CCCCOC(=O)C(C)(C)C(=O)Oc1c(Cl)cc(Cl)cc1C=O
Molecular Weight1
361.22
Sources

Physical Properties

Property Value Unit Source
Δf -421.02 kJ/mol Joback Calculated Property
Δfgas -786.86 kJ/mol Joback Calculated Property
Δfus 38.91 kJ/mol Joback Calculated Property
Δvap 87.98 kJ/mol Joback Calculated Property
logPoct/wat 4.08 Crippen Calculated Property
Pc 1800.03 kPa Joback Calculated Property
Tboil 879.97 K Joback Calculated Property
Tc 1101.81 K Joback Calculated Property
Tfus 582.64 K Joback Calculated Property
Vc 0.98 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 709.01 J/mol×K 879.97 Joback Calculated Property
η 0.00 Pa×s 879.97 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Dimethylmalonic acid, 2,4-dichloro-6-formylphenyl pentyl ester. Dimethylmalonic acid, 2,4-dichloro-6-formylphenyl hexyl ester. Dimethylmalonic acid, decyl 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, 2,4-dichloro-6-formylphenyl isohexyl 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 propyl ester. Diethylmalonic acid, butyl 2,4-dichloro-6-formylphenyl 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 heptyl ester. Diethylmalonic acid, 2,4-dichloro-6-formylphenyl tridecyl ester.

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