Chemical Properties of Trichloroacetic acid, 2-pentyl ester (CAS 78031-35-3)

Trichloroacetic acid, 2-pentyl ester

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InChI
InChI=1S/C7H11Cl3O2/c1-3-4-5(2)12-6(11)7(8,9)10/h5H,3-4H2,1-2H3
InChI Key
GKGUCQJRCNVBMU-UHFFFAOYSA-N
Formula
C7H11Cl3O2
SMILES
CCCC(C)OC(=O)C(Cl)(Cl)Cl
Molecular Weight1
233.52
CAS
78031-35-3
Other Names
  • Acetic acid, trichloro, 1-methylbutyl ester
Sources

Physical Properties

Property Value Unit Source
Δf -261.25 kJ/mol Joback Calculated Property
Δfgas -493.86 kJ/mol Joback Calculated Property
Δfus 18.33 kJ/mol Joback Calculated Property
Δvap 51.80 kJ/mol Joback Calculated Property
logPoct/wat 3.09 Crippen Calculated Property
Pc 2690.21 kPa Joback Calculated Property
Tboil 544.47 K Joback Calculated Property
Tc 753.60 K Joback Calculated Property
Tfus 317.99 K Joback Calculated Property
Vc 0.58 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 319.04 J/mol×K 544.47 Joback Calculated Property
η 0.00 Pa×s 544.47 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Dichloroacetic acid, 2-pentyl ester. Trichloroacetic acid, 2-butyl ester. Acetic acid, trichloro, 1,2-dimethylpropyl ester. Acetic acid, chloro-, 1-methylbutyl ester. n-Butyl trichloroacetate. Dichloroacetic acid, 2-butyl ester. Acetic acid, trichloro, 1,1-dimethylpropyl ester. 4-Penten-2-ol, trichloroacetate. Trichloroacetic acid, pentyl ester. 4-chlorobutyl trichloroacetate. Trichloroacetic acid, hexyl ester. Acetic acid, trichloro-, heptyl ester. 3-Methylbutyl trichloroacetate. Acetic acid, dichloro, 1,2-dimethylpropyl ester. Acetic acid, trichloro-, octyl ester.

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