Chemical Properties of Acetic acid, phenyl-, isopentyl ester (CAS 102-19-2)

Acetic acid, phenyl-, isopentyl ester

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InChI
InChI=1S/C13H18O2/c1-11(2)8-9-15-13(14)10-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3
InChI Key
QWBQBUWZZBUFHN-UHFFFAOYSA-N
Formula
C13H18O2
SMILES
CC(C)CCOC(=O)Cc1ccccc1
Molecular Weight1
206.28
CAS
102-19-2
Other Names
  • 3-Methylbutyl phenylacetate
  • Benzeneacetic acid, 3-methylbutyl ester
  • Isoamyl phenylacetate
  • Isopentyl alcohol, phenylacetate
  • Isopentyl phenylacetate
  • NSC 60582
  • Phenylacetic acid isoamyl ester
  • Phenylacetic acid, 3-methylbutyl ester
  • Phenylacetic acid, isopentyl ester
Sources

Physical Properties

Property Value Unit Source
Δf -65.37 kJ/mol Joback Calculated Property
Δfgas -325.20 kJ/mol Joback Calculated Property
Δfus 22.73 kJ/mol Joback Calculated Property
Δvap 55.58 kJ/mol Joback Calculated Property
logPoct/wat 2.818 Crippen Calculated Property
Pc 2309.17 kPa Joback Calculated Property
Tboil 599.37 K Joback Calculated Property
Tc 806.35 K Joback Calculated Property
Tfus 319.85 K Joback Calculated Property
Vc 0.673 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 443.71 J/mol×K 599.37 Joback Calculated Property
η 0.0001566 Pa×s 599.37 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 1
-CH3 2
=CH- (ring) 5
=C< (ring) 1
-CH2- 3
>C=O (nonring) 1

Similar Compounds

Benzeneacetic acid, butyl ester. Pentyl phenylacetate. Phenylacetic acid, 2-methylbutyl ester. Benzeneacetic acid, hexyl ester. Phenylacetic acid propyl ester. Benzeneacetic acid, heptyl ester. Benzeneacetic acid, octyl ester. Benzeneacetic acid, decyl ester. Benzeneacetic acid, nonyl ester. Benzeneacetic acid, 2-methylpropyl ester. n-Butyl 2-(4-bromophenyl)acetate. Benzeneacetic acid, ethyl ester. Phenylacetic acid, 4-chloro-, butyl ester. Acetic acid, phenyl-, 3-hexenyl ester. cis-3-Hexenyl phenyl acetate.

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