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

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

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InChI
InChI=1S/C17H21Cl3O4/c1-10(2)6-5-7-23-15(21)17(3,4)16(22)24-13-9-11(18)8-12(19)14(13)20/h8-10H,5-7H2,1-4H3
InChI Key
VRLXJLQRMWRGNP-UHFFFAOYSA-N
Formula
C17H21Cl3O4
SMILES
CC(C)CCCOC(=O)C(C)(C)C(=O)Oc1cc(Cl)cc(Cl)c1Cl
Molecular Weight1
395.70
Sources

Physical Properties

Property Value Unit Source
Δf -327.45 kJ/mol Joback Calculated Property
Δfgas -742.94 kJ/mol Joback Calculated Property
Δfus 39.89 kJ/mol Joback Calculated Property
Δvap 87.48 kJ/mol Joback Calculated Property
logPoct/wat 5.56 Crippen Calculated Property
Pc 1530.66 kPa Joback Calculated Property
Tboil 891.18 K Joback Calculated Property
Tc 1114.69 K Joback Calculated Property
Tfus 566.83 K Joback Calculated Property
Vc 1.06 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 778.49 J/mol×K 891.18 Joback Calculated Property
η 0.00 Pa×s 891.18 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- 3
-Cl 3
>C< 1
-CH3 4

Similar Compounds

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

Find more compounds similar to Dimethylmalonic acid, isohexyl 2,3,5-trichlorophenyl ester.

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