Chemical Properties of Benzoic acid, 3-chloro-, ethyl ester (CAS 1128-76-3)

Benzoic acid, 3-chloro-, ethyl ester

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InChI
InChI=1S/C9H9ClO2/c1-2-12-9(11)7-4-3-5-8(10)6-7/h3-6H,2H2,1H3
InChI Key
LVFRSNCBCHABAM-UHFFFAOYSA-N
Formula
C9H9ClO2
SMILES
CCOC(=O)c1cccc(Cl)c1
Molecular Weight1
184.62
CAS
1128-76-3
Other Names
  • 3-Chlorobenzoic acid, ethyl ester
  • Benzoic acid, m-chloro-, ethyl ester
  • Ethyl 3-chlorobenzoate
  • Ethyl m-chlorobenzoate
Sources

Physical Properties

Property Value Unit Source
Δf -118.17 kJ/mol Joback Calculated Property
Δfgas -264.57 kJ/mol Joback Calculated Property
Δfus 19.70 kJ/mol Joback Calculated Property
Δvap 52.11 kJ/mol Joback Calculated Property
logPoct/wat 2.52 Crippen Calculated Property
Pc 3239.34 kPa Joback Calculated Property
Tboil 550.70 K Joback Calculated Property
Tc 772.80 K Joback Calculated Property
Tfus 332.21 K Joback Calculated Property
Vc 0.50 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 280.82 J/mol×K 550.7 Joback Calculated Property
η 0.00 Pa×s 550.7 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-Cl 1
=CH- (ring) 4
=C< (ring) 2
-CH2- 1
>C=O (nonring) 1
-CH3 1

Similar Compounds

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

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