Chemical Properties of Benzoic acid, 3-chloro, 2-chloroethyl ester

Benzoic acid, 3-chloro, 2-chloroethyl ester

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InChI
InChI=1S/C9H8Cl2O2/c10-4-5-13-9(12)7-2-1-3-8(11)6-7/h1-3,6H,4-5H2
InChI Key
ZVNHEUFAHIDPTB-UHFFFAOYSA-N
Formula
C9H8Cl2O2
SMILES
O=C(OCCCl)c1cccc(Cl)c1
Molecular Weight1
219.07
Other Names
  • Benzoic acid, 3-chloro, 2-chloroethyl ester
Sources

Physical Properties

Property Value Unit Source
Δf -130.10 kJ/mol Joback Calculated Property
Δfgas -280.31 kJ/mol Joback Calculated Property
Δfus 23.90 kJ/mol Joback Calculated Property
Δvap 56.49 kJ/mol Joback Calculated Property
logPoct/wat 2.74 Crippen Calculated Property
Pc 3107.10 kPa Joback Calculated Property
Tboil 588.13 K Joback Calculated Property
Tc 814.30 K Joback Calculated Property
Tfus 362.13 K Joback Calculated Property
Vc 0.55 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 304.13 J/mol×K 588.13 Joback Calculated Property
η 0.00 Pa×s 588.13 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-Cl 2
=CH- (ring) 4
=C< (ring) 2
-CH2- 2
>C=O (nonring) 1

Similar Compounds

2,2-Dichloroethyl 3-chlorobenzoate. 2,2,2-Trichloroethyl 3-chlorobenzoate. Benzoic acid, 3-chloro-, ethyl ester. Benzoic acid, 3-chloro, 2-propenyl ester. 3-Chlorobenzoic acid, isopropyl ester. Benzoic acid, 3-chloro, propyl ester. Prop-2-ynyl 3-chlorobenzoate. 3-Chlorobenzoic acid, 2-methoxyethyl ester. (E)-But-2-enyl 3-chlorobenzoate. 3-Cl-C6H4-COOCH3. But-3-enyl 3-chlorobenzoate. Butyl 3-chlorobenzoate. Isobutyl 3-chlorobenzoate. 3-Chlorobenzoic acid, 2-ethoxyethyl ester. 3-Chlorobenzoic acid, neopentyl ester.

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