Chemical Properties of Dimethylmalonic acid, isobutyl 2,3,5-trichlorophenyl ester

Dimethylmalonic acid, isobutyl 2,3,5-trichlorophenyl ester

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InChI
InChI=1S/C15H17Cl3O4/c1-8(2)7-21-13(19)15(3,4)14(20)22-11-6-9(16)5-10(17)12(11)18/h5-6,8H,7H2,1-4H3
InChI Key
LFEZGRXARYBFLH-UHFFFAOYSA-N
Formula
C15H17Cl3O4
SMILES
CC(C)COC(=O)C(C)(C)C(=O)Oc1cc(Cl)cc(Cl)c1Cl
Molecular Weight1
367.65
Sources

Physical Properties

Property Value Unit Source
Δf -344.29 kJ/mol Joback Calculated Property
Δfgas -701.66 kJ/mol Joback Calculated Property
Δfus 34.71 kJ/mol Joback Calculated Property
Δvap 83.03 kJ/mol Joback Calculated Property
logPoct/wat 4.78 Crippen Calculated Property
Pc 1789.39 kPa Joback Calculated Property
Tboil 845.42 K Joback Calculated Property
Tc 1072.72 K Joback Calculated Property
Tfus 544.29 K Joback Calculated Property
Vc 0.95 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 666.74 J/mol×K 845.42 Joback Calculated Property
η 0.00 Pa×s 845.42 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Dimethylmalonic acid, propyl 2,3,5-trichlorophenyl ester. Dimethylmalonic acid, pentyl 2,3,5-trichlorophenyl ester. Dimethylmalonic acid, isohexyl 2,3,5-trichlorophenyl ester. Dimethylmalonic acid, heptyl 2,3,5-trichlorophenyl ester. Dimethylmalonic acid, 2,3,5-trichlorophenyl undecyl ester. Dimethylmalonic acid, decyl 2,3,5-trichlorophenyl ester. Dimethylmalonic acid, 2,3-dichlorophenyl isobutyl ester. Dimethylmalonic acid, 2,3-dichlorophenyl propyl ester. Dimethylmalonic acid, 2,3-dichlorophenyl ethyl ester. Dimethylmalonic acid, butyl 2,3-dichlorophenyl ester. Dimethylmalonic acid, 2,5-dichlorophenyl isobutyl ester. Dimethylmalonic acid, dodecyl pentachlorophenyl ester. Dimethylmalonic acid, 2,3-dichlorophenyl hexyl ester. Dimethylmalonic acid, 2,5-dichlorophenyl propyl ester. Dimethylmalonic acid, 2,3-dichlorophenyl isohexyl ester.

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