- InChI
- InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+
- InChI Key
- NGSWKAQJJWESNS-ZZXKWVIFSA-N
- Formula
- C9H8O3
- SMILES
- O=C(O)C=Cc1ccc(O)cc1
- Molecular Weight1
- 164.16
- CAS
- 7400-08-0
- Other Names
-
- .beta.-(4-hydroxyphenyl)acrylic acid
- 2-propenoic acid, 3-(4-hydroxyphenyl)-
- 3-(4-hydroxyphenyl)-2-propenoic acid
- 4'-Hydroxycinnamic acid
- 4-coumaric acid
- 4-hydroxycinnamic acid
- Cinnamic acid, p-hydroxy-
- NSC 59260
- p-Cumaric acid
- p-Hydroxyphenylacrylic acid
- p-hydroxycinnamic acid
- para-Coumaric acid
- «beta»-(4-Hydroxyphenyl)acrylic acid
- 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).
- 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 | -414.94 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 29.24 | kJ/mol | Joback Calculated Property |
| IE | 8.29 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.62 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.490 | Crippen Calculated Property | |
| McVol | 122.920 | ml/mol | McGowan Calculated Property |
| Inp | [1631.00; 1635.00] |
|
|
| Inp | 1635.00 | NIST | |
| Inp | 1631.00 | NIST | |
| Inp | 1631.00 | NIST | |
| Inp | 1635.00 | NIST | |
| Tboil | 594.68 | K | Relay (1.0) Calculated Property |
| Tfus | [475.00; 494.30] | K |
|
| Tfus | 492.35 | K | Solubilities of p-coumaric and caffeic acid in ionic liquids and organic solvents |
| Tfus | 494.30 | K | Measurement and Correlation of the Solubility of p-Coumaric Acid in Nine Pure and Water + Ethanol Mixed Solvents at Temperatures from 293.15 to 333.15 K |
| Tfus | 489.00 ± 5.00 | K | NIST |
| Tfus | 486.90 ± 3.00 | K | NIST |
| Tfus | 475.00 ± 5.00 | K | NIST |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, 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 | [304.94; 351.64] | J/mol×K | [662.49; 905.75] |
|
| Cp,gas | 304.94 | J/mol×K | 662.49 | Joback Calculated Property |
| Cp,gas | 314.04 | J/mol×K | 703.03 | Joback Calculated Property |
| Cp,gas | 322.44 | J/mol×K | 743.58 | Joback Calculated Property |
| Cp,gas | 330.26 | J/mol×K | 784.12 | Joback Calculated Property |
| Cp,gas | 337.65 | J/mol×K | 824.66 | Joback Calculated Property |
| Cp,gas | 344.73 | J/mol×K | 865.21 | Joback Calculated Property |
| Cp,gas | 351.64 | J/mol×K | 905.75 | Joback Calculated Property |
| η | [0.0000215; 0.0002524] | Pa×s | [484.85; 662.49] |
|
| η | 0.0002524 | Pa×s | 484.85 | Joback Calculated Property |
| η | 0.0001488 | Pa×s | 514.46 | Joback Calculated Property |
| η | 0.0000930 | Pa×s | 544.06 | Joback Calculated Property |
| η | 0.0000610 | Pa×s | 573.67 | Joback Calculated Property |
| η | 0.0000417 | Pa×s | 603.28 | Joback Calculated Property |
| η | 0.0000295 | Pa×s | 632.88 | Joback Calculated Property |
| η | 0.0000215 | Pa×s | 662.49 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to p-Coumaric acid.
Mixtures
- p-Coumaric acid + Amylene hydrate
- p-Coumaric acid + Ethyl Acetate
- Ethanol + p-Coumaric acid
- p-Coumaric acid + Methyl Alcohol
- 1-Propanol + p-Coumaric acid
- 2-Propanol + p-Coumaric acid
- p-Coumaric acid + 1-Butanol
- p-Coumaric acid + 1-Propanol, 2-methyl-
- p-Coumaric acid + Acetone
- p-Coumaric acid + Acetic acid, methyl ester
- Ethanol + p-Coumaric acid + Water
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 p-coumaric and caffeic acid in ionic liquids and organic solvents
- Measurement and Correlation of the Solubility of p-Coumaric Acid in Nine Pure and Water + Ethanol Mixed Solvents at Temperatures from 293.15 to 333.15 K
- Determination and Thermodynamic Modeling of Solid Liquid Phase Equilibrium for Esomeprazole Sodium in Monosolvents and in the (Ethanol + Ethyl Acetate) Binary Solvent Mixtures
- 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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