Chemical Properties of 3-Chlorobenzoic acid, isopropyl ester

3-Chlorobenzoic acid, isopropyl ester

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InChI
InChI=1S/C10H11ClO2/c1-7(2)13-10(12)8-4-3-5-9(11)6-8/h3-7H,1-2H3
InChI Key
WDIWPDMGFDKALY-UHFFFAOYSA-N
Formula
C10H11ClO2
SMILES
CC(C)OC(=O)c1cccc(Cl)c1
Molecular Weight1
198.65
Other Names
  • Benzoic acid, 3-chloro, isopropyl ester
Sources

Physical Properties

Property Value Unit Source
Δf -112.19 kJ/mol Joback Calculated Property
Δfgas -290.49 kJ/mol Joback Calculated Property
Δfus 18.77 kJ/mol Joback Calculated Property
Δvap 53.95 kJ/mol Joback Calculated Property
logPoct/wat 2.91 Crippen Calculated Property
Pc 2937.70 kPa Joback Calculated Property
Tboil 573.14 K Joback Calculated Property
Tc 796.07 K Joback Calculated Property
Tfus 328.48 K Joback Calculated Property
Vc 0.55 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 326.36 J/mol×K 573.14 Joback Calculated Property
η 0.00 Pa×s 573.14 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Benzoic acid, 3-chloro-, ethyl ester. Benzoic acid, 3-chloro, 1-methylpropyl ester. Benzoic acid, 3-chloro, propyl ester. Benzoic acid, 3-chloro, 2-propenyl ester. Prop-2-ynyl 3-chlorobenzoate. 3-Chlorobenzoic acid, 2-methoxyethyl ester. Benzoic acid, 3-chloro, 2-chloroethyl ester. But-3-enyl 3-chlorobenzoate. (E)-But-2-enyl 3-chlorobenzoate. 3-Cl-C6H4-COOCH3. Butyl 3-chlorobenzoate. Isobutyl 3-chlorobenzoate. 3-Methylbutan-2-yl 3-chlorobenzoate. Benzoic acid, 3-chloro, 1-methyl-3-butenyl ester. 3-Chlorobenzoic acid, 2-pentyl ester.

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