Chemical Properties of 6-Bromohexanoic acid, 2,4,5-trichlorophenyl ester

6-Bromohexanoic acid, 2,4,5-trichlorophenyl ester

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InChI
InChI=1S/C12H12BrCl3O2/c13-5-3-1-2-4-12(17)18-11-7-9(15)8(14)6-10(11)16/h6-7H,1-5H2
InChI Key
RFAYCUNNCKCRHH-UHFFFAOYSA-N
Formula
C12H12BrCl3O2
SMILES
O=C(CCCCCBr)Oc1cc(Cl)c(Cl)cc1Cl
Molecular Weight1
374.48
Sources

Physical Properties

Property Value Unit Source
Δf -121.71 kJ/mol Joback Calculated Property
Δfgas -354.58 kJ/mol Joback Calculated Property
Δfus 40.37 kJ/mol Joback Calculated Property
Δvap 75.31 kJ/mol Joback Calculated Property
logPoct/wat 5.51 Crippen Calculated Property
Pc 2311.39 kPa Joback Calculated Property
Tboil 770.32 K Joback Calculated Property
Tc 999.55 K Joback Calculated Property
Tfus 510.70 K Joback Calculated Property
Vc 0.83 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 500.67 J/mol×K 770.32 Joback Calculated Property
η 0.00 Pa×s 770.32 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-Cl 3
=CH- (ring) 2
=C< (ring) 4
-CH2- 5
>C=O (nonring) 1
-Br 1

Similar Compounds

Nonanoic acid, 2,4,5-trichlorophenyl ester. 6-Chlorohexanoic acid, 2,4,5-trichlorophenyl ester. 6-Bromohexanoic acid, 2,3,4,6-tetrachlorophenyl ester. 4-Bromobutyric acid, 2,4,5-trichlorophenyl ester. 3-Cyclopentylpropionic acid, 2,4,5-trichlorophenyl ester. Isovaleric acid, 2,4,5-trichlorophenyl ester. Adipic acid, ethyl 2,4,5-trichlorophenyl ester. Sebacic acid, ethyl 2,4,5-trichlorophenyl ester. Nonanoic acid, 2,3,4,6-tetrachlorophenyl ester. Dodecanoic acid, 2,3,4,6-tetrachlorophenyl ester. Lauric acid, pentachlorophenyl ester. Adipic acid, propyl 2,4,5-trichlorophenyl ester. Sebacic acid, butyl 2,4,5-trichlorophenyl ester. Adipic acid, butyl 2,4,5-trichlorophenyl ester. 6-Chlorohexanoic acid, 2,3,4,6-tetrachlorophenyl ester.

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