- InChI
- InChI=1S/C12H14O4/c1-3-16-12(14)7-5-9-4-6-10(13)11(8-9)15-2/h4-8,13H,3H2,1-2H3/b7-5+
- InChI Key
- ATJVZXXHKSYELS-FNORWQNLSA-N
- Formula
- C12H14O4
- SMILES
- CCOC(=O)C=Cc1ccc(O)c(OC)c1
- Molecular Weight1
- 222.24
- CAS
- 4046-02-0
- Other Names
-
- Ferulic acid ethyl ester
- ethyl 4'-hydroxy-3'-methoxycinnamate
- Cp,gas : Ideal gas 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.
- 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 |
|---|---|---|---|
| ΔfG° | -260.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -503.06 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.78 | kJ/mol | Joback Calculated Property |
| log10WS | -2.08 | Crippen Calculated Property | |
| logPoct/wat | 1.977 | Crippen Calculated Property | |
| McVol | 171.060 | ml/mol | McGowan Calculated Property |
| Pc | 3005.73 | kPa | Joback Calculated Property |
| Inp | [1914.00; 1916.00] |
|
|
| Inp | 1914.00 | NIST | |
| Inp | 1916.00 | NIST | |
| Inp | 1914.00 | NIST | |
| Tboil | 689.11 | K | Joback Calculated Property |
| Tc | 911.47 | K | Joback Calculated Property |
| Tfus | 464.97 | K | Joback Calculated Property |
| Vc | 0.588 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [449.01; 514.01] | J/mol×K | [689.11; 911.47] |
|
| Cp,gas | 449.01 | J/mol×K | 689.11 | Joback Calculated Property |
| Cp,gas | 461.50 | J/mol×K | 726.17 | Joback Calculated Property |
| Cp,gas | 473.24 | J/mol×K | 763.23 | Joback Calculated Property |
| Cp,gas | 484.31 | J/mol×K | 800.29 | Joback Calculated Property |
| Cp,gas | 494.75 | J/mol×K | 837.35 | Joback Calculated Property |
| Cp,gas | 504.63 | J/mol×K | 874.41 | Joback Calculated Property |
| Cp,gas | 514.01 | J/mol×K | 911.47 | Joback Calculated Property |
| η | [0.0000119; 0.0002591] | Pa×s | [464.97; 689.11] |
|
| η | 0.0002591 | Pa×s | 464.97 | Joback Calculated Property |
| η | 0.0001282 | Pa×s | 502.33 | Joback Calculated Property |
| η | 0.0000699 | Pa×s | 539.68 | Joback Calculated Property |
| η | 0.0000412 | Pa×s | 577.04 | Joback Calculated Property |
| η | 0.0000259 | Pa×s | 614.40 | Joback Calculated Property |
| η | 0.0000172 | Pa×s | 651.75 | Joback Calculated Property |
| η | 0.0000119 | Pa×s | 689.11 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to ethyl ferulate.
Sources
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