Chemical Properties of Phenylacetic acid propyl ester (CAS 4606-15-9)

Phenylacetic acid propyl ester

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InChI
InChI=1S/C11H14O2/c1-2-8-13-11(12)9-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
InChI Key
GXXFZZLGPFNITM-UHFFFAOYSA-N
Formula
C11H14O2
SMILES
CCCOC(=O)Cc1ccccc1
Molecular Weight1
178.23
CAS
4606-15-9
Other Names
  • Acetic acid, phenyl-, propyl ester
  • Benzeneacetic acid, propyl ester
  • Propyl benzeneacetate
  • Propyl phenylacetate
Sources

Physical Properties

Property Value Unit Source
Δf -79.77 kJ/mol Joback Calculated Property
Δfgas -278.64 kJ/mol Joback Calculated Property
Δfus 21.07 kJ/mol Joback Calculated Property
Δvap 51.51 kJ/mol Joback Calculated Property
logPoct/wat 2.182 Crippen Calculated Property
Pc 2778.85 kPa Joback Calculated Property
Tboil 554.05 K Joback Calculated Property
Tc 763.32 K Joback Calculated Property
Tfus 312.31 K Joback Calculated Property
Vc 0.568 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 346.39 J/mol×K 554.05 Joback Calculated Property
η 0.0002005 Pa×s 554.05 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
>C=O (nonring) 1
=CH- (ring) 5
=C< (ring) 1
-CH2- 3
-CH3 1

Similar Compounds

Benzeneacetic acid, 2-methylpropyl ester. Benzeneacetic acid, butyl ester. Benzeneacetic acid, ethyl ester. Pentyl phenylacetate. Acetic acid, phenyl-, isopentyl ester. Ethyl-p-tolylacetate. Benzeneacetic acid 1-methylethyl ester. Benzeneacetic acid, hexyl ester. cis-3-Hexenyl phenyl acetate. Acetic acid, phenyl-, 3-hexenyl ester. Benzeneacetic acid, 2-phenylethyl ester. Benzeneacetic acid, 2-propenyl ester. Benzeneacetic acid, heptyl ester. Benzeneacetic acid, decyl ester. Benzeneacetic acid, nonyl ester.

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