Chemical Properties of Dichloroacetic acid, 2,7-dimethyloct-7-en-5-yn-4-yl

Dichloroacetic acid, 2,7-dimethyloct-7-en-5-yn-4-yl

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InChI
InChI=1S/C12H16Cl2O2/c1-8(2)5-6-10(7-9(3)4)16-12(15)11(13)14/h9-11H,1,7H2,2-4H3
InChI Key
VSXCBHKTNKYJJP-UHFFFAOYSA-N
Formula
C12H16Cl2O2
SMILES
C=C(C)C#CC(CC(C)C)OC(=O)C(Cl)Cl
Molecular Weight1
263.16
Sources

Physical Properties

Property Value Unit Source
Δf 67.15 kJ/mol Joback Calculated Property
Δfgas -195.19 kJ/mol Joback Calculated Property
Δfus 27.98 kJ/mol Joback Calculated Property
Δvap 60.63 kJ/mol Joback Calculated Property
logPoct/wat 3.33 Crippen Calculated Property
Pc 2129.52 kPa Joback Calculated Property
Tboil 629.35 K Joback Calculated Property
Tc 845.58 K Joback Calculated Property
Tfus 402.38 K Joback Calculated Property
Vc 0.76 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 465.05 J/mol×K 629.35 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Trichloroacetic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. Trichloroacetic acid, 2-methyloct-5-yn-4-yl ester. Dichloroacetic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. Trichloroacetic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. Butanoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. Valeric acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. 2,2-Dimethylpropanoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. 4-Bromobutanoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. 5-Chlorovaleric acid, 2,7-dimethylocty-7-en-5-yn-4-yl ester. Hexanoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. 5-Bromovaleric acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. Glutaric acid, butyl 2,7-dimethyloct-5-yn-7-en-4-yl ester. Glutaric acid, di(2,7-dimethyloct-5-yn-7-en-4-yl) ester. Glutaric acid, 2,7-dimethyloct-5-yn-7-en-4-yl propyl ester. Cyclopropanecarboxylic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester.

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