- InChI
- InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)
- InChI Key
- KSEBMYQBYZTDHS-UHFFFAOYSA-N
- Formula
- C10H10O4
- SMILES
- COc1cc(C=CC(=O)O)ccc1O
- Molecular Weight1
- 194.18
- CAS
- 1135-24-6
- Other Names
-
- 3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid
- 3-(4-hydroxy-3-methoxyphenyl)acrylic acid
- 3-Methoxy-4-hydroxycinnamic acid
- 4-Hydroxy-3-methoxycinnamic acid (ferulic acid)
- 4-hydroxy-3-methoxycinnamic acid
- Cinnamic acid, 4-hydroxy-3-methoxy-
- coniferic acid
- ferulaic acid
- ferulic 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).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔsubH : Enthalpy of sublimation 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).
- Psub : Sublimation pressure (kPa).
- 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.
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry.
Do not hesitate to contact us for your projects.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -563.96 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 112.19 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.09 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.01 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.499 | Crippen Calculated Property | |
| McVol | 142.880 | ml/mol | McGowan Calculated Property |
| Inp | 1897.10 | NIST | |
| Tboil | 596.09 | K | Relay (1.0) Calculated Property |
| Tfus | [444.90; 445.90] | K |
|
| Tfus | 445.90 | K | Thermodynamics of a model biological reaction: A comprehensive combined experimental and theoretical study |
| Tfus | 444.90 | K | Solubility of high-value compounds in ethyl lactate: Measurements and modelling |
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
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [194.82; 434.79] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -1.88100e+01 | |||
| Coefficient B | 9.77620e-01 | |||
| Coefficient C | -7.86120e-04 | |||
| Coefficient D | 2.62100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 194.82 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 240.27 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 279.08 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 312.09 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 340.13 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 364.03 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 384.62 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 402.72 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 419.17 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 434.79 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0005965; 0.0000197] | Pa×s | [445.40; 663.77] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.77842e+01 | |||
| Coefficient B | 4.61425e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 445.40 | |||
| Temperature range, max. | 663.77 | |||
| η | 0.0005965 | Pa×s | 445.40 | Calculated Property |
| η | 0.0003493 | Pa×s | 469.66 | Calculated Property |
| η | 0.0002156 | Pa×s | 493.93 | Calculated Property |
| η | 0.0001392 | Pa×s | 518.19 | Calculated Property |
| η | 0.0000935 | Pa×s | 542.45 | Calculated Property |
| η | 0.0000649 | Pa×s | 566.71 | Calculated Property |
| η | 0.0000465 | Pa×s | 590.98 | Calculated Property |
| η | 0.0000342 | Pa×s | 615.24 | Calculated Property |
| η | 0.0000257 | Pa×s | 639.50 | Calculated Property |
| η | 0.0000197 | Pa×s | 663.77 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-.
Mixtures
- 2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)- + Water
- potassium chloride + 2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)- + Water
- 2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)- + sodium chloride + Water
- 2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)- + Lithium chloride + Water
- 2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)- + LACTIC ACID, ETHYL ESTER + Water
- 2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)- + Carbon dioxide
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
- Thermodynamics of a model biological reaction: A comprehensive combined experimental and theoretical study
- Temperature and salt addition effects on the solubility behaviour of some phenolic compounds in water
- Solubility of high-value compounds in ethyl lactate: Measurements and modelling
- Solubility of high-value compounds in environmentally friendly solvents liquid poly(ethylene glycol) and ionic liquids: Experimental study and thermodynamic analysis
- Solubility of Ferulic Acid and Tetramethylpyrazine in Supercritical Carbon Dioxide
- Vapor Pressure Characterization of Several Phenolics and Polyhydric Compounds by Knudsen Effusion Method
- 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.
Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.