Chemical Properties of Phenylacetic acid, 4-chloro-, propyl ester

Phenylacetic acid, 4-chloro-, propyl ester

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InChI
InChI=1S/C11H13ClO2/c1-2-7-14-11(13)8-9-3-5-10(12)6-4-9/h3-6H,2,7-8H2,1H3
InChI Key
OKKOZFNOMZSZBQ-UHFFFAOYSA-N
Formula
C11H13ClO2
SMILES
CCCOC(=O)Cc1ccc(Cl)cc1
Molecular Weight1
212.67
Sources

Physical Properties

Property Value Unit Source
Δf -101.33 kJ/mol Joback Calculated Property
Δfgas -305.85 kJ/mol Joback Calculated Property
Δfus 24.88 kJ/mol Joback Calculated Property
Δvap 56.56 kJ/mol Joback Calculated Property
logPoct/wat 2.84 Crippen Calculated Property
Pc 2632.55 kPa Joback Calculated Property
Tboil 596.46 K Joback Calculated Property
Tc 810.87 K Joback Calculated Property
Tfus 354.75 K Joback Calculated Property
Vc 0.62 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 372.82 J/mol×K 596.46 Joback Calculated Property
η 0.00 Pa×s 596.46 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-Cl 1
=CH- (ring) 4
=C< (ring) 2
-CH2- 3
-CH3 1
>C=O (nonring) 1

Similar Compounds

Phenylacetic acid, 4-chloro-, butyl ester. Phenylacetic acid, 4-chloro-, hexadecyl ester. Phenylacetic acid, 4-chloro-, tetradecyl ester. Phenylacetic acid, 4-chloro-, tridecyl ester. Phenylacetic acid, 4-chloro-, pentadecyl ester. Phenylacetic acid, 4-chloro-, dodecyl ester. Phenylacetic acid, 4-chloro-, undecyl ester. Phenylacetic acid, 4-chloro-, heptadecyl ester. Benzeneacetic acid, 4-chloro-, methyl ester. Phenylacetic acid propyl ester. Benzeneacetic acid, 4-chloro-, but-3-yn-2-yl ester. Benzeneacetic acid, 2-methylpropyl ester. Benzeneacetic acid, 4-chloro-, tridec-2-yn-1-yl ester. Benzeneacetic acid, butyl ester. Benzeneacetic acid, 4-chloro-, undec-2-en-1-yl ester.

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