Chemical Properties of Trichloroacetic acid, 2-butyl ester (CAS 4484-80-4)

Trichloroacetic acid, 2-butyl ester

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InChI
InChI=1S/C6H9Cl3O2/c1-3-4(2)11-5(10)6(7,8)9/h4H,3H2,1-2H3
InChI Key
CJTKROHEGUUXOZ-UHFFFAOYSA-N
Formula
C6H9Cl3O2
SMILES
CCC(C)OC(=O)C(Cl)(Cl)Cl
Molecular Weight1
219.49
CAS
4484-80-4
Other Names
  • Acetic acid, trichloro, 1-methylpropyl ester
Sources

Physical Properties

Property Value Unit Source
Δf -269.67 kJ/mol Joback Calculated Property
Δfgas -473.22 kJ/mol Joback Calculated Property
Δfus 15.74 kJ/mol Joback Calculated Property
Δvap 49.58 kJ/mol Joback Calculated Property
logPoct/wat 2.70 Crippen Calculated Property
Pc 2979.54 kPa Joback Calculated Property
Tboil 521.59 K Joback Calculated Property
Tc 734.09 K Joback Calculated Property
Tfus 306.72 K Joback Calculated Property
Vc 0.53 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 276.03 J/mol×K 521.59 Joback Calculated Property
η 0.00 Pa×s 521.59 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Acetic acid, trichloro, 1,2-dimethylpropyl ester. Dichloroacetic acid, 2-butyl ester. Trichloroacetic acid, 2-pentyl ester. Acetic acid, trichloro, 1,1-dimethylpropyl ester. 4-Penten-2-ol, trichloroacetate. Acetic acid, dichloro, 1,2-dimethylpropyl ester. Dichloroacetic acid, 2-pentyl ester. n-Propyl trichloroacetate. Trichloroaetic acid isopropyl ester. n-Butyl trichloroacetate. 4-Penten-2-ol, dichloroacetate. Acetic acid, dichloro, 1,1-dimethylpropyl ester. Trichloroacetic acid 2-methylpropyl ester. Sec butyl chloroacetate. Trichloroacetic acid, pentyl ester.

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