Chemical Properties of 2-Propynyl trichloroacetate (CAS 51698-77-2)

2-Propynyl trichloroacetate

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InChI
InChI=1S/C5H3Cl3O2/c1-2-3-10-4(9)5(6,7)8/h1H,3H2
InChI Key
PGSHGNZXQJZXFA-UHFFFAOYSA-N
Formula
C5H3Cl3O2
SMILES
C#CCOC(=O)C(Cl)(Cl)Cl
Molecular Weight1
201.43
CAS
51698-77-2
Other Names
  • 2-Propyn-1-ol, trichloroacetate
Sources

Physical Properties

Property Value Unit Source
Δf -52.58 kJ/mol Joback Calculated Property
Δfgas -155.40 kJ/mol Joback Calculated Property
Δfus 19.64 kJ/mol Joback Calculated Property
Δvap 47.60 kJ/mol Joback Calculated Property
logPoct/wat 1.533 Crippen Calculated Property
Pc 3925.85 kPa Joback Calculated Property
Tboil 489.27 K Joback Calculated Property
Tc 716.43 K Joback Calculated Property
Tfus 357.42 K Joback Calculated Property
Vc 0.438 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 203.16 J/mol×K 489.27 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Acetic acid, trichloro-, ethyl ester. Trichloroacetic acid, but-3-yn-2-yl ester. Ethanol, 2-chloro, trichloroacetate. Trichloroaetic acid isopropyl ester. n-Propyl trichloroacetate. Acetic acid, trichloro-, 1,1-dimethylethyl ester. Trichloroacetic acid 2-propenyl ester. Trichloroacetic acid, tridec-2-ynyl ester. 2-Propyl-1-ol, chloroacetate. Chloroacetic acid, 2-propynyl ester. Acetic acid, trichloro-, methyl ester. Acetic acid, dichloro-, ethyl ester. Trichloroacetic acid, triethylene glycol diester. Trichloroacetic acid 2-methylpropyl ester. Acetic acid, trichloro-, anhydride.

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