- InChI
- InChI=1S/C9H10O5/c1-13-6-3-5(9(11)12)4-7(14-2)8(6)10/h3-4,10H,1-2H3,(H,11,12)
- InChI Key
- JMSVCTWVEWCHDZ-UHFFFAOYSA-N
- Formula
- C9H10O5
- SMILES
- COc1cc(C(=O)O)cc(OC)c1O
- Molecular Weight1
- 198.17
- Other Names
-
- 3,5-Dimethoxy-4-hydroxybenzoic acid
- 3,5-Dimethoxy-4-hydroxybenzoic acid (syringic acid)
- 4-Hydroxy-3,5-dimethylbenzoic acid
- 4-hydroxy-3,5-dimethoxybenzoic acid
- Cedar acid
- syringic 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).
- 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).
- 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.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -780.73 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 112.84 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.48 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.56 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.108 | Crippen Calculated Property | |
| McVol | 138.960 | ml/mol | McGowan Calculated Property |
| Inp | [1823.00; 1823.00] |
|
|
| Inp | 1823.00 | NIST | |
| Inp | 1823.00 | NIST | |
| Tboil | 575.74 | K | Relay (1.0) Calculated Property |
| Tfus | 485.80 | K | Solubility and Thermodynamic Behavior of Syringic Acid in Eight Pure and Water + Methanol Mixed Solvents |
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
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [369.44; 419.00] | J/mol×K | [713.13; 941.71] |
|
| Cp,gas | 369.44 | J/mol×K | 713.13 | Joback Calculated Property |
| Cp,gas | 378.96 | J/mol×K | 751.23 | Joback Calculated Property |
| Cp,gas | 387.92 | J/mol×K | 789.32 | Joback Calculated Property |
| Cp,gas | 396.36 | J/mol×K | 827.42 | Joback Calculated Property |
| Cp,gas | 404.33 | J/mol×K | 865.52 | Joback Calculated Property |
| Cp,gas | 411.86 | J/mol×K | 903.61 | Joback Calculated Property |
| Cp,gas | 419.00 | J/mol×K | 941.71 | Joback Calculated Property |
| η | [0.0000124; 0.0000732] | Pa×s | [559.43; 713.13] |
|
| η | 0.0000732 | Pa×s | 559.43 | Joback Calculated Property |
| η | 0.0000510 | Pa×s | 585.05 | Joback Calculated Property |
| η | 0.0000367 | Pa×s | 610.66 | Joback Calculated Property |
| η | 0.0000270 | Pa×s | 636.28 | Joback Calculated Property |
| η | 0.0000204 | Pa×s | 661.90 | Joback Calculated Property |
| η | 0.0000157 | Pa×s | 687.51 | Joback Calculated Property |
| η | 0.0000124 | Pa×s | 713.13 | Joback Calculated Property |
| ΔfusH | 33.70 | kJ/mol | 480.30 | NIST |
Similar Compounds
Find more compounds similar to Benzoic acid, 4-hydroxy-3,5-dimethoxy-.
Mixtures
- Benzoic acid, 4-hydroxy-3,5-dimethoxy- + Water
- potassium chloride + Benzoic acid, 4-hydroxy-3,5-dimethoxy- + Water
- sodium chloride + Benzoic acid, 4-hydroxy-3,5-dimethoxy- + Water
- Benzoic acid, 4-hydroxy-3,5-dimethoxy- + Lithium chloride + Water
- Potassium nitrate + Benzoic acid, 4-hydroxy-3,5-dimethoxy- + Water
- Sodium nitrate + Benzoic acid, 4-hydroxy-3,5-dimethoxy- + Water
- Sodium sulfate + Benzoic acid, 4-hydroxy-3,5-dimethoxy- + Water
- Benzoic acid, 4-hydroxy-3,5-dimethoxy- + Methyl Alcohol
- Ethanol + Benzoic acid, 4-hydroxy-3,5-dimethoxy-
- 2-Propanol + Benzoic acid, 4-hydroxy-3,5-dimethoxy-
- Benzoic acid, 4-hydroxy-3,5-dimethoxy- + 1-Butanol
- Benzoic acid, 4-hydroxy-3,5-dimethoxy- + 1-Hexanol
- 1,2-Ethanediol + Benzoic acid, 4-hydroxy-3,5-dimethoxy-
- Benzoic acid, 4-hydroxy-3,5-dimethoxy- + Ethyl Acetate
- Benzoic acid, 4-hydroxy-3,5-dimethoxy- + Methyl Alcohol + Water
- Carbon dioxide + Benzoic acid, 4-hydroxy-3,5-dimethoxy-
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
- Temperature and salt addition effects on the solubility behaviour of some phenolic compounds in water
- Solubility of some phenolic compounds in aqueous alkali metal nitrate solutions from (293.15 to 318.15) K
- Solubility and Thermodynamic Behavior of Syringic Acid in Eight Pure and Water + Methanol Mixed Solvents
- Solubility of Syringic and Vanillic Acids in Supercritical Carbon Dioxide
- Solubility of Gallic Acid, Vanillin, Syringic Acid, and Protocatechuic Acid in Aqueous Sulfate Solutions from (293.15 to 318.15) K
- Joback Method
- McGowan Method
- NIST Webbook
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