Chemical Properties of 3-Phenylpropanoic acid methyl ester (CAS 103-25-3)

3-Phenylpropanoic acid methyl ester

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InChI
InChI=1S/C10H12O2/c1-12-10(11)8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChI Key
RPUSRLKKXPQSGP-UHFFFAOYSA-N
Formula
C10H12O2
SMILES
COC(=O)CCc1ccccc1
Molecular Weight1
164.20
CAS
103-25-3
Other Names
  • 3-Phenylpropanoic acid methyl ester
  • Dihydromethyl cinnamate
  • Hydrocinnamic acid, methyl ester
  • Methyl 3-phenylpropanoate
  • Methyl 3-phenylpropionate
  • Methyl benzenepropanoate
  • Methyl dihydrocinnamate
  • Methyl ester of «beta»-Phenylpropionic acid
  • Methyl hydrocinnamate
  • Methyl phenylpropionate
  • Methyl «beta»-phenylpropionate
  • methyl (3-phenyI) propanoate
  • «beta»-Phenylpropionic acid methyl ester
Sources

Physical Properties

Property Value Unit Source
Δf -88.19 kJ/mol Joback Calculated Property
Δfgas -258.00 kJ/mol Joback Calculated Property
Δfus 18.48 kJ/mol Joback Calculated Property
Δvap 49.29 kJ/mol Joback Calculated Property
IE 9.10 ± 0.10 eV NIST
logPoct/wat 1.79 Crippen Calculated Property
Pc 3082.99 kPa Joback Calculated Property
Tboil 511.70 K NIST
Tc 743.85 K Joback Calculated Property
Tfus 301.04 K Joback Calculated Property
Vc 0.51 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 300.47 J/mol×K 531.17 Joback Calculated Property
η 0.00 Pa×s 531.17 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
>C=O (nonring) 1
=CH- (ring) 5
=C< (ring) 1
-CH2- 2
-CH3 1

Similar Compounds

Benzenepropanoic acid, ethyl ester. 3-Phenylpropanoic acid. Benzenepropanoic acid, 3-phenylpropyl ester. Benzenepropanoic acid 1-methylethyl ester. 3-Phenylpropanoic anhydride. p-Methylhydrocinnamic acid. Benzenepropanoic acid, 4-hydroxy-, methyl ester. Benzenepropanoic acid, pentyl ester. 3-Phenylpropionic acid, 3-methylbutyl ester. Benzenepropanoic acid, hexyl ester. Formic acid, 3-phenylpropyl ester. 2-Phenethyl-.beta.-phenylpropionate. (Z)-Hex-3-enyl dihydrocinnamate. 3-Phenylpropionic acid, 2,2,2-trichloroethyl ester. 3-Phenylpropionic acid, 2-methylbutyl ester.

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