- InChI
- InChI=1S/C11H12O4/c1-14-9-5-3-8(4-6-11(12)13)7-10(9)15-2/h3-7H,1-2H3,(H,12,13)/b6-4+
- InChI Key
- HJBWJAPEBGSQPR-GQCTYLIASA-N
- Formula
- C11H12O4
- SMILES
- COc1ccc(C=CC(=O)O)cc1OC
- Molecular Weight1
- 208.21
- CAS
- 14737-89-4
- Other Names
-
- (2E)-3-(3,4-Dimethoxyphenyl)-2-propenoic acid
- (E)-3,4-Dimethoxycinnamic acid
- (E)-3',4'-dimethoxycinnamic 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° | -260.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -468.81 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.88 | kJ/mol | Joback Calculated Property |
| log10WS | -2.05 | Crippen Calculated Property | |
| logPoct/wat | 1.802 | Crippen Calculated Property | |
| McVol | 156.970 | ml/mol | McGowan Calculated Property |
| Pc | 3086.42 | kPa | Joback Calculated Property |
| Inp | [1949.00; 1949.00] |
|
|
| Inp | 1949.00 | NIST | |
| Inp | 1949.00 | NIST | |
| Tboil | 682.77 | K | Joback Calculated Property |
| Tc | 886.19 | K | Joback Calculated Property |
| Tfus | 415.32 | K | Joback Calculated Property |
| Vc | 0.585 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [399.37; 454.69] | J/mol×K | [682.77; 886.19] |
|
| Cp,gas | 399.37 | J/mol×K | 682.77 | Joback Calculated Property |
| Cp,gas | 410.13 | J/mol×K | 716.67 | Joback Calculated Property |
| Cp,gas | 420.26 | J/mol×K | 750.58 | Joback Calculated Property |
| Cp,gas | 429.78 | J/mol×K | 784.48 | Joback Calculated Property |
| Cp,gas | 438.68 | J/mol×K | 818.39 | Joback Calculated Property |
| Cp,gas | 446.99 | J/mol×K | 852.29 | Joback Calculated Property |
| Cp,gas | 454.69 | J/mol×K | 886.19 | Joback Calculated Property |
| η | [0.0000349; 0.0009159] | Pa×s | [415.32; 682.77] |
|
| η | 0.0009159 | Pa×s | 415.32 | Joback Calculated Property |
| η | 0.0004082 | Pa×s | 459.89 | Joback Calculated Property |
| η | 0.0002098 | Pa×s | 504.47 | Joback Calculated Property |
| η | 0.0001202 | Pa×s | 549.04 | Joback Calculated Property |
| η | 0.0000748 | Pa×s | 593.62 | Joback Calculated Property |
| η | 0.0000498 | Pa×s | 638.19 | Joback Calculated Property |
| η | 0.0000349 | Pa×s | 682.77 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Propenoic acid, 3-(3,4-dimethoxyphenyl)-, (E)-.
Sources
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