Chemical Properties of Trichloroacetic acid, hex-4-yn-3-yl ester

Trichloroacetic acid, hex-4-yn-3-yl ester

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InChI
InChI=1S/C8H9Cl3O2/c1-3-5-6(4-2)13-7(12)8(9,10)11/h6H,4H2,1-2H3
InChI Key
ALHKHMGMXWSIDK-UHFFFAOYSA-N
Formula
C8H9Cl3O2
SMILES
CC#CC(CC)OC(=O)C(Cl)(Cl)Cl
Molecular Weight1
243.51
Sources

Physical Properties

Property Value Unit Source
Δf -50.03 kJ/mol Joback Calculated Property
Δfgas -242.20 kJ/mol Joback Calculated Property
Δfus 24.04 kJ/mol Joback Calculated Property
Δvap 56.18 kJ/mol Joback Calculated Property
logPoct/wat 2.70 Crippen Calculated Property
Pc 2878.12 kPa Joback Calculated Property
Tboil 576.35 K Joback Calculated Property
Tc 808.21 K Joback Calculated Property
Tfus 435.36 K Joback Calculated Property
Vc 0.60 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 324.80 J/mol×K 576.35 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Dichloroacetic acid, hex-4-yn-3-yl ester. Trichloroacetic acid, 2-methyloct-5-yn-4-yl ester. Trichloroacetic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. Dichloroacetic acid, 2,7-dimethyloct-7-en-5-yn-4-yl. Trichloroacetic acid, but-3-yn-2-yl ester. Trichloroacetic acid, 2-butyl ester. Acetic acid, trichloro, 1,1-dimethylpropyl ester. Acetic acid, trichloro, 1,2-dimethylpropyl ester. Trichloroacetic acid, 2-pentyl ester. Trichloroacetic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. 3-Chloropropionic acid, hex-4-yn-3-yl ester. 4-Penten-2-ol, trichloroacetate. Trichloroacetic acid, tridec-2-ynyl ester. Butanoic acid, hex-4-yn-3-yl ester. Dichloroacetic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester.

Find more compounds similar to Trichloroacetic acid, hex-4-yn-3-yl ester.

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