Chemical Properties of Benzeneacetic acid, butyl ester (CAS 122-43-0)

Benzeneacetic acid, butyl ester

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InChI
InChI=1S/C12H16O2/c1-2-3-9-14-12(13)10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3
InChI Key
LDOXTQYWWYXYSQ-UHFFFAOYSA-N
Formula
C12H16O2
SMILES
CCCCOC(=O)Cc1ccccc1
Molecular Weight1
192.25
CAS
122-43-0
Other Names
  • Acetic acid, phenyl-, butyl ester
  • Butyl benzene acetate
  • Butyl phenylacetate
  • Phenylacetic acid butyl ester
  • Phenylethanoic acid butyl ester
  • n-Butyl phenylacetate
Sources

Physical Properties

Property Value Unit Source
Δf -71.35 kJ/mol Joback Calculated Property
Δfgas -299.28 kJ/mol Joback Calculated Property
Δfus 23.66 kJ/mol Joback Calculated Property
Δvap 53.74 kJ/mol Joback Calculated Property
logPoct/wat 2.57 Crippen Calculated Property
Pc 2517.59 kPa Joback Calculated Property
Tboil 576.93 K Joback Calculated Property
Tc 782.93 K Joback Calculated Property
Tfus 323.58 K Joback Calculated Property
Vc 0.62 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 394.04 J/mol×K 576.93 Joback Calculated Property
η 0.00 Pa×s 576.93 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-CH3 1
=CH- (ring) 5
=C< (ring) 1
-CH2- 4
>C=O (nonring) 1

Similar Compounds

Acetic acid, phenyl-, isopentyl ester. Pentyl phenylacetate. Phenylacetic acid propyl ester. Benzeneacetic acid, hexyl ester. Benzeneacetic acid, heptyl ester. Benzeneacetic acid, nonyl ester. Benzeneacetic acid, decyl ester. Benzeneacetic acid, octyl ester. Phenylacetic acid, 2-methylbutyl ester. Benzeneacetic acid, 2-methylpropyl ester. Benzeneacetic acid, ethyl ester. n-Butyl 2-(4-bromophenyl)acetate. Phenylacetic acid, 4-chloro-, butyl ester. Benzeneacetic acid 1-methylethyl ester. Ethyl-p-tolylacetate.

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