Chemical Properties of Sebacic acid, isobutyl 2,4,6-trichlorophenyl ester

Sebacic acid, isobutyl 2,4,6-trichlorophenyl ester

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InChI
InChI=1S/C20H27Cl3O4/c1-14(2)13-26-18(24)9-7-5-3-4-6-8-10-19(25)27-20-16(22)11-15(21)12-17(20)23/h11-12,14H,3-10,13H2,1-2H3
InChI Key
UPKPXWIKPFSLLE-UHFFFAOYSA-N
Formula
C20H27Cl3O4
SMILES
CC(C)COC(=O)CCCCCCCCC(=O)Oc1c(Cl)cc(Cl)cc1Cl
Molecular Weight1
437.79
Sources

Physical Properties

Property Value Unit Source
Δf -305.03 kJ/mol Joback Calculated Property
Δfgas -796.11 kJ/mol Joback Calculated Property
Δfus 55.07 kJ/mol Joback Calculated Property
Δvap 95.45 kJ/mol Joback Calculated Property
logPoct/wat 6.87 Crippen Calculated Property
Pc 1219.99 kPa Joback Calculated Property
Tboil 963.05 K Joback Calculated Property
Tc 1183.13 K Joback Calculated Property
Tfus 598.22 K Joback Calculated Property
Vc 1.24 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 951.38 J/mol×K 963.05 Joback Calculated Property
η 0.00 Pa×s 963.05 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Sebacic acid, propyl 2,4,6-trichlorophenyl ester. Sebacic acid, butyl 2,4,6-trichlorophenyl ester. Sebacic acid, 2,4-dichlorophenyl isobutyl ester. Sebacic acid, heptyl 2,4,6-trichlorophenyl ester. Sebacic acid, octyl 2,4,6-trichlorophenyl ester. Sebacic acid, hexyl 2,4,6-trichlorophenyl ester. Sebacic acid, ethyl 2,4,6-trichlorophenyl ester. Sebacic acid, isohexyl 2,4,6-trichlorophenyl ester. Sebacic acid, butyl 2,4-dichlorophenyl ester. Sebacic acid, 2,4-dichlorophenyl hexyl ester. Sebacic acid, 2,4-dichlorophenyl decyl ester. Sebacic acid, 2,4-dichlorophenyl ethyl ester. Glutaric acid, isobutyl 2,4,6-trichlorophenyl ester. Sebacic acid, 2,4-dichlorophenyl isohexyl ester. Sebacic acid, butyl 2,6-dichlorophenyl ester.

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