Chemical Properties of 2,2,2-Trichloroethyl heptanoate

2,2,2-Trichloroethyl heptanoate

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InChI
InChI=1S/C9H15Cl3O2/c1-2-3-4-5-6-8(13)14-7-9(10,11)12/h2-7H2,1H3
InChI Key
LBQWQJOXEYEDAX-UHFFFAOYSA-N
Formula
C9H15Cl3O2
SMILES
CCCCCCC(=O)OCC(Cl)(Cl)Cl
Molecular Weight1
261.57
Other Names
  • Heptanoic acid, 2,2,2-trichloroethyl ester
Sources

Physical Properties

Property Value Unit Source
Δf -241.97 kJ/mol Joback Calculated Property
Δfgas -529.86 kJ/mol Joback Calculated Property
Δfus 27.03 kJ/mol Joback Calculated Property
Δvap 56.64 kJ/mol Joback Calculated Property
logPoct/wat 3.87 Crippen Calculated Property
Pc 2208.29 kPa Joback Calculated Property
Tboil 590.67 K Joback Calculated Property
Tc 789.49 K Joback Calculated Property
Tfus 355.53 K Joback Calculated Property
Vc 0.70 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 409.97 J/mol×K 590.67 Joback Calculated Property
η 0.00 Pa×s 590.67 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-Cl 3
>C=O (nonring) 1
-CH2- 6
>C< 1
-CH3 1

Similar Compounds

2,2,2-Trichloroethyl heptadecanoate. 2,2,2-Trichloroethyl octanoate. 2,2,2-Trichloroethyl dodecanoate. 2,2,2-Trichloroethyl decanoate. 2,2,2-Trichloroethyl undecanoate. 2,2,2-Trichloroethyl pentadecanoate. 2,2,2-Trichloroethyl eicosanoate. 2,2,2-Trichloroethyl nonadecanoate. 2,2,2-Trichloroethyl tetradecanoate. Sebacic acid, di(2,2,2-trichloroethyl) ester. 2,2,2-Trichloroethyl hexadecanoate. 2,2,2-Trichloroethyl tridecanoate. 2,2,2-Trichloroethyl hexanoate. Sebacic acid, octyl 2,2,2-trichloroethyl ester. Sebacic acid, 2,2,2-trichloroethyl undecyl ester.

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