Chemical Properties of Sebacic acid, 2,3-dichlorophenyl isobutyl ester

Sebacic acid, 2,3-dichlorophenyl isobutyl ester

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InChI
InChI=1S/C20H28Cl2O4/c1-15(2)14-25-18(23)12-7-5-3-4-6-8-13-19(24)26-17-11-9-10-16(21)20(17)22/h9-11,15H,3-8,12-14H2,1-2H3
InChI Key
HGTFVSWLZGKKPM-UHFFFAOYSA-N
Formula
C20H28Cl2O4
SMILES
CC(C)COC(=O)CCCCCCCCC(=O)Oc1cccc(Cl)c1Cl
Molecular Weight1
403.34
Sources

Physical Properties

Property Value Unit Source
Δf -283.47 kJ/mol Joback Calculated Property
Δfgas -768.90 kJ/mol Joback Calculated Property
Δfus 51.26 kJ/mol Joback Calculated Property
Δvap 90.41 kJ/mol Joback Calculated Property
logPoct/wat 6.22 Crippen Calculated Property
Pc 1265.55 kPa Joback Calculated Property
Tboil 920.64 K Joback Calculated Property
Tc 1133.87 K Joback Calculated Property
Tfus 555.78 K Joback Calculated Property
Vc 1.19 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 929.62 J/mol×K 920.64 Joback Calculated Property
η 0.00 Pa×s 920.64 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Sebacic acid, butyl 2,3-dichlorophenyl ester. Sebacic acid, 2,3-dichlorophenyl hexyl ester. Sebacic acid, 2,3-dichlorophenyl ethyl ester. Sebacic acid, 2,3-dichlorophenyl isohexyl ester. Glutaric acid, 2,3-dichlorophenyl isobutyl ester. Sebacic acid, isobutyl 2,3,6-trichlorophenyl ester. Glutaric acid, 2,3-dichlorophenyl heptyl ester. Glutaric acid, 2,3-dichlorophenyl undecyl ester. Glutaric acid, 2,3-dichlorophenyl nonyl ester. Adipic acid, isobutyl 2,3,5-trichlorophenyl ester. Glutaric acid, 2,3-dichlorophenyl hexyl ester. Adipic acid, isobutyl 2,3,6-trichlorophenyl ester. Glutaric acid, butyl 2,3-dichlorophenyl ester. Sebacic acid, 2,5-dichlorophenyl isobutyl ester. Sebacic acid, heptyl 2,3,5-trichlorophenyl ester.

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