Chemical Properties of Benzeneacetic acid, nonyl ester (CAS 72109-82-1)

Benzeneacetic acid, nonyl ester

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InChI
InChI=1S/C17H26O2/c1-2-3-4-5-6-7-11-14-19-17(18)15-16-12-9-8-10-13-16/h8-10,12-13H,2-7,11,14-15H2,1H3
InChI Key
QICYMLLAPDCBNZ-UHFFFAOYSA-N
Formula
C17H26O2
SMILES
CCCCCCCCCOC(=O)Cc1ccccc1
Molecular Weight1
262.39
CAS
72109-82-1
Other Names
  • Phenylacetic acid, nonyl ester
  • nonyl phenylacetate
Sources

Physical Properties

Property Value Unit Source
Δf -29.25 kJ/mol Joback Calculated Property
Δfgas -402.48 kJ/mol Joback Calculated Property
Δfus 36.61 kJ/mol Joback Calculated Property
Δvap 64.87 kJ/mol Joback Calculated Property
logPoct/wat 4.52 Crippen Calculated Property
Pc 1635.13 kPa Joback Calculated Property
Tboil 691.33 K Joback Calculated Property
Tc 884.75 K Joback Calculated Property
Tfus 379.93 K Joback Calculated Property
Vc 0.90 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 654.86 J/mol×K 691.33 Joback Calculated Property
η 0.00 Pa×s 691.33 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
>C=O (nonring) 1
=CH- (ring) 5
=C< (ring) 1
-CH2- 9
-CH3 1

Similar Compounds

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

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