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

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

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InChI
InChI=1S/C14H15Cl3O4/c1-4-5-20-12(18)14(2,3)13(19)21-10-7-8(15)6-9(16)11(10)17/h6-7H,4-5H2,1-3H3
InChI Key
PEGMVXZLURBLDL-UHFFFAOYSA-N
Formula
C14H15Cl3O4
SMILES
CCCOC(=O)C(C)(C)C(=O)Oc1cc(Cl)cc(Cl)c1Cl
Molecular Weight1
353.62
Sources

Physical Properties

Property Value Unit Source
Δf -350.27 kJ/mol Joback Calculated Property
Δfgas -675.74 kJ/mol Joback Calculated Property
Δfus 35.64 kJ/mol Joback Calculated Property
Δvap 81.19 kJ/mol Joback Calculated Property
logPoct/wat 4.53 Crippen Calculated Property
Pc 1930.44 kPa Joback Calculated Property
Tboil 822.98 K Joback Calculated Property
Tc 1049.66 K Joback Calculated Property
Tfus 548.02 K Joback Calculated Property
Vc 0.90 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 611.60 J/mol×K 822.98 Joback Calculated Property
η 0.00 Pa×s 822.98 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Dimethylmalonic acid, isobutyl 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 propyl ester. Dimethylmalonic acid, 2,3-dichlorophenyl isobutyl ester. Dimethylmalonic acid, 2,3-dichlorophenyl ethyl ester. Dimethylmalonic acid, butyl 2,3-dichlorophenyl 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. Dimethylmalonic acid, 2,3-dichlorophenyl heptyl ester.

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