Chemical Properties of 2,2,2-Trichloroethyl hexanoate

2,2,2-Trichloroethyl hexanoate

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InChI
InChI=1S/C8H13Cl3O2/c1-2-3-4-5-7(12)13-6-8(9,10)11/h2-6H2,1H3
InChI Key
WGQPNMRSQVQUSL-UHFFFAOYSA-N
Formula
C8H13Cl3O2
SMILES
CCCCCC(=O)OCC(Cl)(Cl)Cl
Molecular Weight1
247.55
Other Names
  • Hexanoic acid, 2,2,2-trichloroethyl ester
Sources

Physical Properties

Property Value Unit Source
Δf -250.39 kJ/mol Joback Calculated Property
Δfgas -509.22 kJ/mol Joback Calculated Property
Δfus 24.44 kJ/mol Joback Calculated Property
Δvap 54.42 kJ/mol Joback Calculated Property
logPoct/wat 3.48 Crippen Calculated Property
Pc 2421.88 kPa Joback Calculated Property
Tboil 567.79 K Joback Calculated Property
Tc 769.47 K Joback Calculated Property
Tfus 344.26 K Joback Calculated Property
Vc 0.64 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 363.45 J/mol×K 567.79 Joback Calculated Property
η 0.00 Pa×s 567.79 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-Cl 3
>C=O (nonring) 1
-CH2- 5
>C< 1
-CH3 1

Similar Compounds

Adipic acid, di(2,2,2-trichloroethyl) ester. Adipic acid, ethyl 2,2,2-trichloroethyl ester. 2,2,2-Trichloroethyl heptanoate. 2,2,2-Trichloroethyl pentadecanoate. 2,2,2-Trichloroethyl hexadecanoate. 2,2,2-Trichloroethyl octanoate. 2,2,2-Trichloroethyl heptadecanoate. 2,2,2-Trichloroethyl dodecanoate. 2,2,2-Trichloroethyl tetradecanoate. 2,2,2-Trichloroethyl undecanoate. 2,2,2-Trichloroethyl decanoate. Sebacic acid, di(2,2,2-trichloroethyl) ester. 2,2,2-Trichloroethyl eicosanoate. 2,2,2-Trichloroethyl tridecanoate. 2,2,2-Trichloroethyl nonadecanoate.

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