Chemical Properties of Benzeneacetic acid, 4-chloro-, methyl ester (CAS 52449-43-1)

Benzeneacetic acid, 4-chloro-, methyl ester

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InChI
InChI=1S/C9H9ClO2/c1-12-9(11)6-7-2-4-8(10)5-3-7/h2-5H,6H2,1H3
InChI Key
WWIYGBWRUXQDND-UHFFFAOYSA-N
Formula
C9H9ClO2
SMILES
COC(=O)Cc1ccc(Cl)cc1
Molecular Weight1
184.62
CAS
52449-43-1
Other Names
  • Methyl (4-chlorophenyl)acetate
  • Methyl 2-(4-chlorophenyl)acetate
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 2.06 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
-CH3 1
>C=O (nonring) 1

Similar Compounds

Acetic acid, p-chlorophenyl-. Phenylacetic acid, 4-chloro-, propyl ester. Phenylacetic acid, 4-chloro-, butyl ester. Benzeneacetic acid, methyl ester. Phenylacetic acid, 3-chloro, methyl ester. Benzeneacetic acid, 4-chloro-, but-3-yn-2-yl ester. Formic acid, 2-(4-chlorophenyl)ethyl ester. Phenylacetic acid, 4-chloro-, tetradecyl ester. Phenylacetic acid, 4-chloro-, undecyl ester. Phenylacetic acid, 4-chloro-, hexadecyl ester. Phenylacetic acid, 4-chloro-, heptadecyl ester. Phenylacetic acid, 4-chloro-, pentadecyl ester. Phenylacetic acid, 4-chloro-, tridecyl ester. Phenylacetic acid, 4-chloro-, dodecyl ester. Acetic acid, 2-(4-chlorophenyl)ethyl ester.

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