- InChI
- InChI=1S/C10H10O3/c1-13-10(12)7-4-8-2-5-9(11)6-3-8/h2-7,11H,1H3/b7-4+
- InChI Key
- NITWSHWHQAQBAW-QPJJXVBHSA-N
- Formula
- C10H10O3
- SMILES
- COC(=O)C=Cc1ccc(O)cc1
- Molecular Weight1
- 178.18
- CAS
- 3943-97-3
- Other Names
-
- 4-Hydroxycinnamic acid methyl ester
- Cinnamic acid, p-hydroxy-, methyl ester
- Methyl (2E)-3-(4-hydroxyphenyl)-2-propenoate
- Methyl 4-coumarate
- Methyl 4-hydroxycinnamate
- Methyl ester of p-hydroxycinnamic acid
- Methyl p-coumarate
- Methyl p-hydroxycinnamate
- NSC 154578
- p-Coumaric acid methyl ester
- p-Hydroxycinnamic acid methyl ester
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -390.26 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | [30.22; 30.22] | kJ/mol |
|
| ΔfusH° | 30.22 | kJ/mol | Solubilities of Cinnamic Acid Esters in Ionic Liquids |
| ΔfusH° | 30.22 | kJ/mol | Solubilities of Cinnamic Acid Esters in Organic Solvents |
| ΔvapH° | 83.83 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.25 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.22 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.578 | Crippen Calculated Property | |
| McVol | 137.010 | ml/mol | McGowan Calculated Property |
| Inp | [1673.00; 1698.00] |
|
|
| Inp | 1698.00 | NIST | |
| Inp | 1688.00 | NIST | |
| Inp | 1673.00 | NIST | |
| Inp | 1698.00 | NIST | |
| Inp | 1673.00 | NIST | |
| Inp | 1688.00 | NIST | |
| Tboil | 566.33 | K | Relay (1.0) Calculated Property |
| Tfus | 394.23 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [326.97; 385.41] | J/mol×K | [598.08; 829.21] |
|
| Cp,gas | 326.97 | J/mol×K | 598.08 | Joback Calculated Property |
| Cp,gas | 338.69 | J/mol×K | 636.60 | Joback Calculated Property |
| Cp,gas | 349.50 | J/mol×K | 675.12 | Joback Calculated Property |
| Cp,gas | 359.49 | J/mol×K | 713.65 | Joback Calculated Property |
| Cp,gas | 368.75 | J/mol×K | 752.17 | Joback Calculated Property |
| Cp,gas | 377.36 | J/mol×K | 790.69 | Joback Calculated Property |
| Cp,gas | 385.41 | J/mol×K | 829.21 | Joback Calculated Property |
| η | [0.0000269; 0.0015564] | Pa×s | [377.85; 598.08] |
|
| η | 0.0015564 | Pa×s | 377.85 | Joback Calculated Property |
| η | 0.0005866 | Pa×s | 414.56 | Joback Calculated Property |
| η | 0.0002591 | Pa×s | 451.26 | Joback Calculated Property |
| η | 0.0001294 | Pa×s | 487.96 | Joback Calculated Property |
| η | 0.0000712 | Pa×s | 524.67 | Joback Calculated Property |
| η | 0.0000424 | Pa×s | 561.38 | Joback Calculated Property |
| η | 0.0000269 | Pa×s | 598.08 | Joback Calculated Property |
| ΔfusH | 30.22 | kJ/mol | 410.70 | NIST |
Similar Compounds
Find more compounds similar to 2-Propenoic acid, 3-(4-hydroxyphenyl)-, methyl ester.
Mixtures
- 2-Propanol, 2-methyl- + 2-Propenoic acid, 3-(4-hydroxyphenyl)-, methyl ester
- Amylene hydrate + 2-Propenoic acid, 3-(4-hydroxyphenyl)-, methyl ester
- Ethyl Acetate + 2-Propenoic acid, 3-(4-hydroxyphenyl)-, methyl ester
- n-Hexane + 2-Propenoic acid, 3-(4-hydroxyphenyl)-, methyl ester
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Solubilities of cinnamic acid esters in binary mixtures of ionic liquids and organic solvents
- Solubilities of Cinnamic Acid Esters in Ionic Liquids
- Solubilities of Cinnamic Acid Esters in Organic Solvents
- Joback Method
- McGowan Method
- NIST Webbook
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.
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