Chemical Properties of Benzenepropanoic acid, 3-phenylpropyl ester (CAS 60045-27-4)

Benzenepropanoic acid, 3-phenylpropyl ester

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InChI
InChI=1S/C18H20O2/c19-18(14-13-17-10-5-2-6-11-17)20-15-7-12-16-8-3-1-4-9-16/h1-6,8-11H,7,12-15H2
InChI Key
KLDUFQGXXVNTDL-UHFFFAOYSA-N
Formula
C18H20O2
SMILES
O=C(CCc1ccccc1)OCCCc1ccccc1
Molecular Weight1
268.35
CAS
60045-27-4
Other Names
  • 3-Phenylpropionic acid, 3-phenylpropyl ester
  • 3-Phenylpropyl 3-phenylpropanoate
  • 3-phenylpropyl 3-phenylpropionate
Sources

Physical Properties

Property Value Unit Source
Δf 91.58 kJ/mol Joback Calculated Property
Δfgas -186.59 kJ/mol Joback Calculated Property
Δfus 33.24 kJ/mol Joback Calculated Property
Δvap 69.37 kJ/mol Joback Calculated Property
logPoct/wat 3.80 Crippen Calculated Property
Pc 1996.55 kPa Joback Calculated Property
Tboil 740.89 K Joback Calculated Property
Tc 965.64 K Joback Calculated Property
Tfus 417.62 K Joback Calculated Property
Vc 0.85 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 626.67 J/mol×K 740.89 Joback Calculated Property
η 0.00 Pa×s 740.89 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
=C< (ring) 2
-CH2- 5
>C=O (nonring) 1
=CH- (ring) 10

Similar Compounds

3-Phenylpropanoic anhydride. Benzenepropanoic acid, ethyl ester. Benzenepropanoic acid, pentyl ester. Benzenepropanol, propanoate. 3-Phenylpropionic acid, 3-methylbutyl ester. Benzenepropanoic acid, hexyl ester. Benzenepropanoic acid 1-methylethyl ester. 3-Phenylpropanoic acid methyl ester. (Z)-Hex-3-enyl dihydrocinnamate. 3-Phenylpropionic acid, 2-methylbutyl ester. Butanoic acid, 3-phenylpropyl ester. Propanoic acid, 2-methyl-, 3-phenylpropyl ester. 3-Phenyl-1-propanol, acetate. 3-Phenylpropionic acid, 8-chlorooctyl ester. 3-Phenylpropionic acid, 3-methylbut-2-yl ester.

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