Chemical Properties of 2,2-dichloroethyl heptanoate

2,2-dichloroethyl heptanoate

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InChI
InChI=1S/C9H16Cl2O2/c1-2-3-4-5-6-9(12)13-7-8(10)11/h8H,2-7H2,1H3
InChI Key
KKDZZVNLJUMCED-UHFFFAOYSA-N
Formula
C9H16Cl2O2
SMILES
CCCCCCC(=O)OCC(Cl)Cl
Molecular Weight1
227.13
Sources

Physical Properties

Property Value Unit Source
Δf -235.32 kJ/mol Joback Calculated Property
Δfgas -510.65 kJ/mol Joback Calculated Property
Δfus 26.72 kJ/mol Joback Calculated Property
Δvap 53.17 kJ/mol Joback Calculated Property
logPoct/wat 3.30 Crippen Calculated Property
Pc 2263.26 kPa Joback Calculated Property
Tboil 556.03 K Joback Calculated Property
Tc 743.61 K Joback Calculated Property
Tfus 308.19 K Joback Calculated Property
Vc 0.66 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 380.33 J/mol×K 556.03 Joback Calculated Property
η 0.00 Pa×s 556.03 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 1
-Cl 2
>C=O (nonring) 1
-CH2- 6
-CH3 1

Similar Compounds

Sebacic acid, 2,2-dichloroethyl ethyl ester. 2,2-dichloroethyl eicosanoate. Sebacic acid, di(2,2-dichloroethyl) ester. 2,2-dichloroethyl heptadecanoate. 2,2-dichloroethyl nonadecanoate. 2,2-dichloroethyl nonanoate. 2,2-dichloroethyl octadecanoate. 2,2-dichloroethyl dodecanoate. 2,2-dichloroethyl tridecanoate. 2,2-dichloroethyl pentadecanoate. Sebacic acid, 2,2-dichloroethyl propyl ester. 2,2-dichloroethyl hexanoate. Sebacic acid, 2,2-dichloroethyl undecyl ester. Sebacic acid, 2,2-dichloroethyl hexyl ester. Sebacic acid, 2,2-dichloroethyl tetradecyl ester.

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