- InChI
- InChI=1S/C11H12O5/c1-15-8-5-7(3-4-10(12)13)6-9(16-2)11(8)14/h3-6,14H,1-2H3,(H,12,13)/b4-3+
- InChI Key
- PCMORTLOPMLEFB-ONEGZZNKSA-N
- Formula
- C11H12O5
- SMILES
- COc1cc(C=CC(=O)O)cc(OC)c1O
- Molecular Weight1
- 224.21
- CAS
- 530-59-6
- Other Names
-
- Sinapinic acid
- Sinapic acid
- trans-3,5-Dimethoxy-4-hydroxycinnamic acid
- 2-Propenoic acid, 3-(4-hydroxy-3,5-dimethoxyphenyl)-
- Cinnamic acid, 4-hydroxy-3,5-dimethoxy-
- 4-Hydroxy-3,5-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).
- 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° | -415.25 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -646.12 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.90 | kJ/mol | Joback Calculated Property |
| log10WS | -1.60 | Crippen Calculated Property | |
| logPoct/wat | 1.507 | Crippen Calculated Property | |
| McVol | 162.840 | ml/mol | McGowan Calculated Property |
| Pc | 3668.65 | kPa | Joback Calculated Property |
| Tboil | 763.39 | K | Joback Calculated Property |
| Tc | 975.57 | K | Joback Calculated Property |
| Tfus | 527.04 | K | Joback Calculated Property |
| Vc | 0.550 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [442.85; 493.72] | J/mol×K | [763.39; 975.57] | 
|
| Cp,gas | 442.85 | J/mol×K | 763.39 | Joback Calculated Property |
| Cp,gas | 452.44 | J/mol×K | 798.75 | Joback Calculated Property |
| Cp,gas | 461.52 | J/mol×K | 834.12 | Joback Calculated Property |
| Cp,gas | 470.15 | J/mol×K | 869.48 | Joback Calculated Property |
| Cp,gas | 478.36 | J/mol×K | 904.84 | Joback Calculated Property |
| Cp,gas | 486.21 | J/mol×K | 940.21 | Joback Calculated Property |
| Cp,gas | 493.72 | J/mol×K | 975.57 | Joback Calculated Property |
| η | [0.0000020; 0.0000663] | Pa×s | [527.04; 763.39] |
|
| η | 0.0000663 | Pa×s | 527.04 | Joback Calculated Property |
| η | 0.0000301 | Pa×s | 566.43 | Joback Calculated Property |
| η | 0.0000152 | Pa×s | 605.82 | Joback Calculated Property |
| η | 0.0000083 | Pa×s | 645.22 | Joback Calculated Property |
| η | 0.0000049 | Pa×s | 684.61 | Joback Calculated Property |
| η | 0.0000030 | Pa×s | 724.00 | Joback Calculated Property |
| η | 0.0000020 | Pa×s | 763.39 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,5-Dimethoxy-4-hydroxycinnamic acid.
Sources
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