Chemical Properties of Benzenepropanoic acid, pentyl ester (CAS 232949-65-4)

Benzenepropanoic acid, pentyl ester

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InChI
InChI=1S/C14H20O2/c1-2-3-7-12-16-14(15)11-10-13-8-5-4-6-9-13/h4-6,8-9H,2-3,7,10-12H2,1H3
InChI Key
ZCOWYOGEJLZCOM-UHFFFAOYSA-N
Formula
C14H20O2
SMILES
CCCCCOC(=O)CCc1ccccc1
Molecular Weight1
220.31
CAS
232949-65-4
Other Names
  • n-Pentyl 3-phenylpropanoate
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
>C=O (nonring) 1
=CH- (ring) 5
=C< (ring) 1
-CH2- 6
-CH3 1

Similar Compounds

Benzenepropanoic acid, hexyl ester. 3-Phenylpropionic acid, 3-methylbutyl ester. 3-Phenylpropionic acid, 8-chlorooctyl ester. Benzenepropanoic acid, 3-phenylpropyl ester. 3-Phenylpropionic acid, 2-methylpentyl ester. 3-Phenylpropionic acid, 2-methylbutyl ester. Benzenepropanoic acid, ethyl ester. 3-Phenylpropanoic anhydride. Benzenepropanoic acid 1-methylethyl ester. 3-Phenylpropionic acid, 4-methoxy-2-methylbutyl ester. 3-Phenylpropanoic acid methyl ester. Pentanoic acid, 3-phenylpropyl ester. Butanoic acid, 3-phenylpropyl ester. (Z)-Hex-3-enyl dihydrocinnamate. 3-Phenylpropionic acid, 3-methylbut-2-yl ester.

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