- 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).
- 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° | -202.83 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -317.46 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.30 | kJ/mol | Joback Calculated Property |
| log10WS | -1.36 | Crippen Calculated Property | |
| logPoct/wat | 1.490 | Crippen Calculated Property | |
| McVol | 122.920 | ml/mol | McGowan Calculated Property |
| Pc | 5138.68 | kPa | Joback Calculated Property |
| Inp | [1631.00; 1635.00] |
|
|
| Inp | 1635.00 | NIST | |
| Inp | 1631.00 | NIST | |
| Tboil | 662.83 | K | Joback Calculated Property |
| Tc | 884.22 | K | Joback Calculated Property |
| Tfus | [475.00; 494.30] | K |
|
| Tfus | 492.35 | K | Solubil... |
| Tfus | 494.30 | K | Measure... |
| Tfus | 489.00 ± 5.00 | K | NIST |
| Tfus | 486.90 ± 3.00 | K | NIST |
| Tfus | 475.00 ± 5.00 | K | NIST |
| Vc | 0.403 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [302.19; 345.20] | J/mol×K | [662.83; 884.22] |
|
| Cp,gas | 302.19 | J/mol×K | 662.83 | Joback Calculated Property |
| Cp,gas | 310.51 | J/mol×K | 699.73 | Joback Calculated Property |
| Cp,gas | 318.25 | J/mol×K | 736.63 | Joback Calculated Property |
| Cp,gas | 325.49 | J/mol×K | 773.52 | Joback Calculated Property |
| Cp,gas | 332.34 | J/mol×K | 810.42 | Joback Calculated Property |
| Cp,gas | 338.88 | J/mol×K | 847.32 | Joback Calculated Property |
| Cp,gas | 345.20 | J/mol×K | 884.22 | Joback Calculated Property |
| η | [0.0000077; 0.0006684] | Pa×s | [435.00; 662.83] |
|
| η | 0.0006684 | Pa×s | 435.00 | Joback Calculated Property |
| η | 0.0002358 | Pa×s | 472.97 | Joback Calculated Property |
| η | 0.0000971 | Pa×s | 510.94 | Joback Calculated Property |
| η | 0.0000452 | Pa×s | 548.91 | Joback Calculated Property |
| η | 0.0000232 | Pa×s | 586.89 | Joback Calculated Property |
| η | 0.0000130 | Pa×s | 624.86 | Joback Calculated Property |
| η | 0.0000077 | Pa×s | 662.83 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to p-Coumaric acid.
Mixtures
- p-Coumaric acid + Amylene hydrate
- p-Coumaric acid + Ethyl Acetate
- p-Coumaric acid + Methyl Alcohol
- Ethanol + p-Coumaric acid
- 1-Propanol + p-Coumaric acid
- Isopropyl Alcohol + 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
- 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
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