Chemical Properties of Benzeneacetic acid, octyl ester (CAS 122-45-2)

Benzeneacetic acid, octyl ester

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InChI
InChI=1S/C16H24O2/c1-2-3-4-5-6-10-13-18-16(17)14-15-11-8-7-9-12-15/h7-9,11-12H,2-6,10,13-14H2,1H3
InChI Key
VGYPAVUJUMQTGE-UHFFFAOYSA-N
Formula
C16H24O2
SMILES
CCCCCCCCOC(=O)Cc1ccccc1
Molecular Weight1
248.36
CAS
122-45-2
Other Names
  • octyl phenylacetate
Sources

Physical Properties

Property Value Unit Source
Δf -37.67 kJ/mol Joback Calculated Property
Δfgas -381.84 kJ/mol Joback Calculated Property
Δfus 34.02 kJ/mol Joback Calculated Property
Δvap 62.64 kJ/mol Joback Calculated Property
logPoct/wat 4.133 Crippen Calculated Property
Pc 1769.87 kPa Joback Calculated Property
Tboil 668.45 K Joback Calculated Property
Tc 863.72 K Joback Calculated Property
Tfus 368.66 K Joback Calculated Property
Vc 0.848 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 599.99 J/mol×K 668.45 Joback Calculated Property
η 0.0001217 Pa×s 668.45 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
>C=O (nonring) 1
=CH- (ring) 5
=C< (ring) 1
-CH2- 8
-CH3 1

Similar Compounds

Benzeneacetic acid, nonyl ester. Benzeneacetic acid, decyl 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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