Chemical Properties of Benzeneacetic acid, hexyl ester (CAS 5421-17-0)

Benzeneacetic acid, hexyl ester

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InChI
InChI=1S/C14H20O2/c1-2-3-4-8-11-16-14(15)12-13-9-6-5-7-10-13/h5-7,9-10H,2-4,8,11-12H2,1H3
InChI Key
MTAHGWGAEGVCLS-UHFFFAOYSA-N
Formula
C14H20O2
SMILES
CCCCCCOC(=O)Cc1ccccc1
Molecular Weight1
220.31
CAS
5421-17-0
Other Names
  • Hexyl phenylacetate
  • Phenylacetic acid hexyl ester
  • n-Hexyl phenylacetate
Sources

Physical Properties

Property Value Unit Source
Δf -54.51 kJ/mol Joback Calculated Property
Δfgas -340.56 kJ/mol Joback Calculated Property
Δfus 28.84 kJ/mol Joback Calculated Property
Δvap 58.19 kJ/mol Joback Calculated Property
logPoct/wat 3.35 Crippen Calculated Property
Pc 2094.58 kPa Joback Calculated Property
Tboil 622.69 K Joback Calculated Property
Tc 822.76 K Joback Calculated Property
Tfus 346.12 K Joback Calculated Property
Vc 0.74 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 494.13 J/mol×K 622.69 Joback Calculated Property
η 0.00 Pa×s 622.69 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-CH3 1
=CH- (ring) 5
=C< (ring) 1
-CH2- 6
>C=O (nonring) 1

Similar Compounds

Benzeneacetic acid, heptyl ester. Benzeneacetic acid, decyl ester. Benzeneacetic acid, octyl ester. Benzeneacetic acid, nonyl ester. Pentyl phenylacetate. Benzeneacetic acid, butyl ester. Acetic acid, phenyl-, isopentyl ester. Phenylacetic acid, 2-methylbutyl ester. Phenylacetic acid propyl ester. Phenylacetic acid, 4-chloro-, tridecyl ester. Phenylacetic acid, 4-chloro-, heptadecyl ester. Phenylacetic acid, 4-chloro-, hexadecyl ester. Phenylacetic acid, 4-chloro-, dodecyl ester. Phenylacetic acid, 4-chloro-, undecyl ester. Phenylacetic acid, 4-chloro-, pentadecyl ester.

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