Chemical Properties of Benzenepropanoic acid, ethyl ester (CAS 2021-28-5)

Benzenepropanoic acid, ethyl ester

Download as PDF file Download as Excel file Download as 2D mole file Predict properties

InChI
InChI=1S/C11H14O2/c1-2-13-11(12)9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
InChI Key
JAGZUIGGHGTFHO-UHFFFAOYSA-N
Formula
C11H14O2
SMILES
CCOC(=O)CCc1ccccc1
Molecular Weight1
178.23
CAS
2021-28-5
Other Names
  • Ethyl 2,3-dihydrocinnamate
  • Ethyl 3-phenylpropanoate
  • Ethyl 3-phenylpropionate
  • Ethyl benzenepropanoate
  • Ethyl dihydrocinnamate
  • Ethyl hydrocinnamate
  • Ethylphenyl propanoate
  • Hydrocinnamic acid, ethyl ester
  • ethyl 3-phenylproprionate
Sources

Physical Properties

Property Value Unit Source
Δcliquid -5906.30 ± 4.70 kJ/mol NIST
Δf -79.77 kJ/mol Joback Calculated Property
Δfgas -278.64 kJ/mol Joback Calculated Property
Δfus 21.07 kJ/mol Joback Calculated Property
Δvap 51.51 kJ/mol Joback Calculated Property
logPoct/wat 2.18 Crippen Calculated Property
Pc 2778.85 kPa Joback Calculated Property
Tboil 520.40 K NIST
Tboil 520.40 ± 1.00 K NIST
Tc 763.32 K Joback Calculated Property
Tfus 312.31 K Joback Calculated Property
Vc 0.57 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 346.39 J/mol×K 554.05 Joback Calculated Property
Cp,liquid 286.60 J/mol×K 298.0 NIST
η 0.00 Pa×s 554.05 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-CH3 1
=CH- (ring) 5
=C< (ring) 1
-CH2- 3
>C=O (nonring) 1

Similar Compounds

Benzenepropanoic acid, 3-phenylpropyl ester. 3-Phenylpropanoic acid methyl ester. Benzenepropanoic acid 1-methylethyl ester. 3-Phenylpropanoic anhydride. Benzenepropanoic acid, pentyl ester. 3-Phenylpropionic acid, 3-methylbutyl ester. Benzenepropanoic acid, hexyl ester. 3-Phenylpropionic acid, 2,2,2-trichloroethyl ester. 2-Phenethyl-.beta.-phenylpropionate. (Z)-Hex-3-enyl dihydrocinnamate. 3-Phenylpropanoic acid. 3-Phenylpropionic acid, 2-methylbutyl ester. 3-Phenylpropionic acid, pent-2-en-4-ynyl ester. Benzenepropanol, propanoate. 3-Phenylpropionic acid, but-3-yn-2-yl ester.

Find more compounds similar to Benzenepropanoic acid, ethyl ester.

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.