- 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).
- 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° | -162.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -318.09 | kJ/mol | Joback Calculated Property |
| ΔfusH° | [30.22; 30.22] | kJ/mol |
|
| ΔfusH° | 30.22 | kJ/mol | Solubil... |
| ΔfusH° | 30.22 | kJ/mol | Solubil... |
| ΔvapH° | 62.26 | kJ/mol | Joback Calculated Property |
| log10WS | -1.54 | Crippen Calculated Property | |
| logPoct/wat | 1.578 | Crippen Calculated Property | |
| McVol | 137.010 | ml/mol | McGowan Calculated Property |
| Pc | 3906.25 | kPa | Joback Calculated Property |
| Inp | [1673.00; 1698.00] |
|
|
| Inp | 1688.00 | NIST | |
| Inp | 1673.00 | NIST | |
| Inp | 1698.00 | NIST | |
| Tboil | 615.95 | K | Joback Calculated Property |
| Tc | 849.16 | K | Joback Calculated Property |
| Tfus | 407.68 | K | Joback Calculated Property |
| Vc | 0.458 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [329.29; 387.11] | J/mol×K | [615.95; 849.16] |
|
| Cp,gas | 329.29 | J/mol×K | 615.95 | Joback Calculated Property |
| Cp,gas | 340.68 | J/mol×K | 654.82 | Joback Calculated Property |
| Cp,gas | 351.25 | J/mol×K | 693.69 | Joback Calculated Property |
| Cp,gas | 361.09 | J/mol×K | 732.56 | Joback Calculated Property |
| Cp,gas | 370.29 | J/mol×K | 771.43 | Joback Calculated Property |
| Cp,gas | 378.94 | J/mol×K | 810.29 | Joback Calculated Property |
| Cp,gas | 387.11 | J/mol×K | 849.16 | Joback Calculated Property |
| η | [0.0000267; 0.0008298] | Pa×s | [407.68; 615.95] |
|
| η | 0.0008298 | Pa×s | 407.68 | Joback Calculated Property |
| η | 0.0003738 | Pa×s | 442.39 | Joback Calculated Property |
| η | 0.0001891 | Pa×s | 477.10 | Joback Calculated Property |
| η | 0.0001050 | Pa×s | 511.82 | Joback Calculated Property |
| η | 0.0000628 | Pa×s | 546.53 | Joback Calculated Property |
| η | 0.0000399 | Pa×s | 581.24 | Joback Calculated Property |
| η | 0.0000267 | Pa×s | 615.95 | Joback Calculated Property |
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
- 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
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