Chemical Properties of 2,2-Dichloroethyl benzoate

2,2-Dichloroethyl benzoate

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InChI
InChI=1S/C9H8Cl2O2/c10-8(11)6-13-9(12)7-4-2-1-3-5-7/h1-5,8H,6H2
InChI Key
PQOOXAVSUMDZHX-UHFFFAOYSA-N
Formula
C9H8Cl2O2
SMILES
O=C(OCC(Cl)Cl)c1ccccc1
Molecular Weight1
219.07
Other Names
  • Benzoic acid, 2,2-dichloroethyl ester
  • Ethanol, 2,2-dichloro, benzoate
Sources

Physical Properties

Property Value Unit Source
Δf -122.91 kJ/mol Joback Calculated Property
Δfgas -274.12 kJ/mol Joback Calculated Property
Δfus 20.77 kJ/mol Joback Calculated Property
Δvap 55.44 kJ/mol Joback Calculated Property
logPoct/wat 2.65 Crippen Calculated Property
Pc 3188.33 kPa Joback Calculated Property
Tboil 582.71 K Joback Calculated Property
Tc 812.83 K Joback Calculated Property
Tfus 334.61 K Joback Calculated Property
Vc 0.55 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 305.63 J/mol×K 582.71 Joback Calculated Property
η 0.00 Pa×s 582.71 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 1
-Cl 2
=CH- (ring) 5
=C< (ring) 1
-CH2- 1
>C=O (nonring) 1

Similar Compounds

Ethanol, 2,2,2-trichloro-, benzoate. 2-Chloroethyl benzoate. Terephthalic acid, di(2,2-dichloroethyl) ester. 4-Methylbenzoic acid, 2,2,2-trichloroethyl ester. Benzoic acid, 4-chloro, 2,2-dichloroethyl ester. Benzoic acid, ethyl ester. Benzoic acid, 4-chloro, 2,2,2-trichloroethyl ester. Terephthalic acid, butyl 2,2-dichloroethyl ester. Terephthalic acid, 2,2-dichloroethyl isobutyl ester. Benzoic acid, 3-methyl-, 2,2,2-trichloroethyl ester. 4-Chlorobenzoic acid, 2-chloroethyl ester. 1,2-Ethanediol, monobenzoate. Benzoic acid 2-bromoethyl ester. Benzoic acid, 2-propenyl ester. Benzoic acid, 1-methylethyl ester.

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