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

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

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InChI
InChI=1S/C21H29Cl3O4/c1-4-5-6-7-8-9-10-11-12-27-19(25)21(2,3)20(26)28-17-14-15(22)13-16(23)18(17)24/h13-14H,4-12H2,1-3H3
InChI Key
BPYNSAWLBYJABD-UHFFFAOYSA-N
Formula
C21H29Cl3O4
SMILES
CCCCCCCCCCOC(=O)C(C)(C)C(=O)Oc1cc(Cl)cc(Cl)c1Cl
Molecular Weight1
451.81
Sources

Physical Properties

Property Value Unit Source
Δf -291.33 kJ/mol Joback Calculated Property
Δfgas -820.22 kJ/mol Joback Calculated Property
Δfus 53.77 kJ/mol Joback Calculated Property
Δvap 96.77 kJ/mol Joback Calculated Property
logPoct/wat 7.26 Crippen Calculated Property
Pc 1150.65 kPa Joback Calculated Property
Tboil 983.14 K Joback Calculated Property
Tc 1207.14 K Joback Calculated Property
Tfus 626.91 K Joback Calculated Property
Vc 1.29 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1010.50 J/mol×K 983.14 Joback Calculated Property
η 0.00 Pa×s 983.14 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
-Cl 3
=CH- (ring) 2
=C< (ring) 4
-CH2- 9
>C< 1
-CH3 3
>C=O (nonring) 2

Similar Compounds

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

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