Chemical Properties of Pentyl phenylacetate (CAS 5137-52-0)

Pentyl phenylacetate

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InChI
InChI=1S/C13H18O2/c1-2-3-7-10-15-13(14)11-12-8-5-4-6-9-12/h4-6,8-9H,2-3,7,10-11H2,1H3
InChI Key
LRVLBFSVAFUOGO-UHFFFAOYSA-N
Formula
C13H18O2
SMILES
CCCCCOC(=O)Cc1ccccc1
Molecular Weight1
206.28
CAS
5137-52-0
Other Names
  • Acetic acid, phenyl-, pentyl ester
  • Amyl phenylacetate
  • Benzeneacetic acid, pentyl ester
  • N-Amyl phenylacetate
  • Phenylacetic acid, pentyl ester
Sources

Physical Properties

Property Value Unit Source
Δf -62.93 kJ/mol Joback Calculated Property
Δfgas -319.92 kJ/mol Joback Calculated Property
Δfus 26.25 kJ/mol Joback Calculated Property
Δvap 55.96 kJ/mol Joback Calculated Property
logPoct/wat 2.96 Crippen Calculated Property
Pc 2291.52 kPa Joback Calculated Property
Tboil 599.81 K Joback Calculated Property
Tc 802.73 K Joback Calculated Property
Tfus 334.85 K Joback Calculated Property
Vc 0.68 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 443.32 J/mol×K 599.81 Joback Calculated Property
η 0.00 Pa×s 599.81 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Benzeneacetic acid, hexyl ester. Benzeneacetic acid, heptyl ester. Benzeneacetic acid, butyl ester. Benzeneacetic acid, octyl ester. Benzeneacetic acid, decyl ester. Benzeneacetic acid, nonyl ester. Acetic acid, phenyl-, isopentyl ester. Phenylacetic acid propyl 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-, tetradecyl ester. Phenylacetic acid, 4-chloro-, tridecyl ester. Phenylacetic acid, 4-chloro-, hexadecyl ester.

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