- 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
-
- Hydrocinnamic acid, ethyl ester
- Ethyl dihydrocinnamate
- Ethyl hydrocinnamate
- Ethyl 3-phenylpropanoate
- Ethyl 3-phenylpropionate
- Ethyl benzenepropanoate
- Ethylphenyl propanoate
- Ethyl 2,3-dihydrocinnamate
- ethyl 3-phenylproprionate
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°liquid | -5906.30 ± 4.70 | kJ/mol | NIST |
| ΔfG° | -79.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -278.64 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.51 | kJ/mol | Joback Calculated Property |
| log10WS | -2.39 | Crippen Calculated Property | |
| logPoct/wat | 2.182 | Crippen Calculated Property | |
| McVol | 149.530 | ml/mol | McGowan Calculated Property |
| Pc | 2778.85 | kPa | Joback Calculated Property |
| Inp | [1320.00; 1390.40] |
|
|
| Inp | 1324.00 | NIST | |
| Inp | Outlier 1390.40 | NIST | |
| Inp | 1355.00 | NIST | |
| Inp | 1360.00 | NIST | |
| Inp | 1350.00 | NIST | |
| Inp | 1348.00 | NIST | |
| Inp | 1370.00 | NIST | |
| Inp | 1350.00 | NIST | |
| Inp | 1360.00 | NIST | |
| Inp | 1353.00 | NIST | |
| Inp | 1349.00 | NIST | |
| Inp | 1353.00 | NIST | |
| Inp | 1354.00 | NIST | |
| Inp | 1357.00 | NIST | |
| Inp | Outlier 1320.00 | NIST | |
| Inp | 1350.00 | NIST | |
| Inp | 1360.00 | NIST | |
| Inp | 1352.00 | NIST | |
| Inp | 1352.00 | NIST | |
| Inp | 1352.00 | NIST | |
| Inp | 1353.00 | NIST | |
| Inp | 1347.00 | NIST | |
| Inp | 1353.00 | NIST | |
| Inp | 1351.00 | NIST | |
| Inp | 1347.00 | NIST | |
| Inp | 1353.00 | NIST | |
| Inp | 1353.00 | NIST | |
| Inp | 1353.00 | NIST | |
| Inp | Outlier 1320.00 | NIST | |
| Inp | 1350.00 | NIST | |
| Inp | 1353.00 | NIST | |
| Inp | 1360.00 | NIST | |
| Inp | Outlier 1320.00 | NIST | |
| I | [1846.00; 1914.00] |
|
|
| I | Outlier 1846.00 | NIST | |
| I | 1914.00 | NIST | |
| I | Outlier 1854.00 | NIST | |
| I | 1909.00 | NIST | |
| I | 1879.00 | NIST | |
| I | 1892.00 | NIST | |
| I | 1892.00 | NIST | |
| I | 1907.00 | NIST | |
| I | 1876.00 | NIST | |
| I | 1872.00 | NIST | |
| I | 1880.00 | NIST | |
| I | 1878.00 | NIST | |
| I | 1905.00 | NIST | |
| I | 1900.00 | NIST | |
| I | 1906.00 | NIST | |
| I | 1903.00 | NIST | |
| I | 1897.00 | NIST | |
| I | 1897.00 | NIST | |
| I | 1900.00 | NIST | |
| I | 1899.00 | NIST | |
| I | 1878.00 | NIST | |
| I | 1872.00 | NIST | |
| I | 1892.00 | NIST | |
| I | 1904.00 | NIST | |
| I | 1886.00 | NIST | |
| I | 1886.00 | NIST | |
| I | 1908.00 | NIST | |
| I | 1862.00 | NIST | |
| I | 1908.00 | NIST | |
| I | 1903.00 | NIST | |
| I | 1905.00 | NIST | |
| I | 1861.00 | NIST | |
| I | 1893.00 | NIST | |
| Tboil | [520.40; 520.40] | K |
|
| 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 | 0.568 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [346.39; 421.37] | J/mol×K | [554.05; 763.32] |
|
| Cp,gas | 346.39 | J/mol×K | 554.05 | Joback Calculated Property |
| Cp,gas | 360.84 | J/mol×K | 588.93 | Joback Calculated Property |
| Cp,gas | 374.48 | J/mol×K | 623.81 | Joback Calculated Property |
| Cp,gas | 387.33 | J/mol×K | 658.68 | Joback Calculated Property |
| Cp,gas | 399.42 | J/mol×K | 693.56 | Joback Calculated Property |
| Cp,gas | 410.76 | J/mol×K | 728.44 | Joback Calculated Property |
| Cp,gas | 421.37 | J/mol×K | 763.32 | Joback Calculated Property |
| Cp,liquid | 286.60 | J/mol×K | 298.00 | NIST |
| η | [0.0002006; 0.0023060] | Pa×s | [312.31; 554.05] |
|
| η | 0.0023060 | Pa×s | 312.31 | Joback Calculated Property |
| η | 0.0012165 | Pa×s | 352.60 | Joback Calculated Property |
| η | 0.0007317 | Pa×s | 392.89 | Joback Calculated Property |
| η | 0.0004838 | Pa×s | 433.18 | Joback Calculated Property |
| η | 0.0003432 | Pa×s | 473.47 | Joback Calculated Property |
| η | 0.0002569 | Pa×s | 513.76 | Joback Calculated Property |
| η | 0.0002006 | Pa×s | 554.05 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzenepropanoic acid, ethyl ester.
Sources
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