Chemical Properties of Benzeneacetic acid, heptyl ester (CAS 39736-25-9)

Benzeneacetic acid, heptyl ester

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InChI
InChI=1S/C15H22O2/c1-2-3-4-5-9-12-17-15(16)13-14-10-7-6-8-11-14/h6-8,10-11H,2-5,9,12-13H2,1H3
InChI Key
MFCMCQJYPOAXCB-UHFFFAOYSA-N
Formula
C15H22O2
SMILES
CCCCCCCOC(=O)Cc1ccccc1
Molecular Weight1
234.33
CAS
39736-25-9
Other Names
  • Heptyl phenylacetate
  • NSC 406420
  • Phenylacetic acid heptyl ester
Sources

Physical Properties

Property Value Unit Source
Δf -46.09 kJ/mol Joback Calculated Property
Δfgas -361.20 kJ/mol Joback Calculated Property
Δfus 31.43 kJ/mol Joback Calculated Property
Δvap 60.42 kJ/mol Joback Calculated Property
logPoct/wat 3.743 Crippen Calculated Property
Pc 1921.98 kPa Joback Calculated Property
Tboil 645.57 K Joback Calculated Property
Tc 843.08 K Joback Calculated Property
Tfus 357.39 K Joback Calculated Property
Vc 0.791 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 546.39 J/mol×K 645.57 Joback Calculated Property
η 0.0001362 Pa×s 645.57 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
>C=O (nonring) 1
=CH- (ring) 5
=C< (ring) 1
-CH2- 7
-CH3 1

Similar Compounds

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

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