- InChI
- InChI=1S/C11H12O4/c1-14-10-7-8(3-5-9(10)12)4-6-11(13)15-2/h3-7,12H,1-2H3/b6-4+
- InChI Key
- AUJXJFHANFIVKH-GQCTYLIASA-N
- Formula
- C11H12O4
- SMILES
- COC(=O)C=Cc1ccc(O)c(OC)c1
- Molecular Weight1
- 208.21
- CAS
- 2309-07-1
- Other Names
-
- Cinnamic acid, 4-hydroxy-3-methoxy-, methyl ester
- Ferulic acid methyl ester
- Methyl ferulate
- Methyl (2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoate
- Methyl 4'-hydroxy-3'-methoxycinnamate (methyl ferulate)
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (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° | -268.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -482.42 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.56 | kJ/mol | Joback Calculated Property |
| log10WS | -1.66 | Crippen Calculated Property | |
| logPoct/wat | 1.587 | Crippen Calculated Property | |
| McVol | 156.970 | ml/mol | McGowan Calculated Property |
| Pc | 3348.98 | kPa | Joback Calculated Property |
| Inp | 1854.80 | NIST | |
| Tboil | 666.23 | K | Joback Calculated Property |
| Tc | 892.63 | K | Joback Calculated Property |
| Tfus | 453.70 | K | Joback Calculated Property |
| Vc | 0.531 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [399.15; 460.29] | J/mol×K | [666.23; 892.63] | 
|
| Cp,gas | 399.15 | J/mol×K | 666.23 | Joback Calculated Property |
| Cp,gas | 410.95 | J/mol×K | 703.96 | Joback Calculated Property |
| Cp,gas | 422.02 | J/mol×K | 741.70 | Joback Calculated Property |
| Cp,gas | 432.44 | J/mol×K | 779.43 | Joback Calculated Property |
| Cp,gas | 442.25 | J/mol×K | 817.16 | Joback Calculated Property |
| Cp,gas | 451.51 | J/mol×K | 854.90 | Joback Calculated Property |
| Cp,gas | 460.29 | J/mol×K | 892.63 | Joback Calculated Property |
| η | [0.0000147; 0.0003045] | Pa×s | [453.70; 666.23] |
|
| η | 0.0003045 | Pa×s | 453.70 | Joback Calculated Property |
| η | 0.0001531 | Pa×s | 489.12 | Joback Calculated Property |
| η | 0.0000845 | Pa×s | 524.54 | Joback Calculated Property |
| η | 0.0000502 | Pa×s | 559.97 | Joback Calculated Property |
| η | 0.0000318 | Pa×s | 595.39 | Joback Calculated Property |
| η | 0.0000212 | Pa×s | 630.81 | Joback Calculated Property |
| η | 0.0000147 | Pa×s | 666.23 | Joback Calculated Property |
| ΔfusH | 25.84 | kJ/mol | 335.70 | NIST |
Similar Compounds
Find more compounds similar to 2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, methyl ester.
Sources
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