- InChI
- InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11)
- InChI Key
- WKOLLVMJNQIZCI-UHFFFAOYSA-N
- Formula
- C8H8O4
- SMILES
- COc1cc(C(=O)O)ccc1O
- Molecular Weight1
- 168.15
- CAS
- 121-34-6
- Other Names
-
- 3-Methoxy-4-Hydroxybenzoic acid
- 4-Hydroxy-3-methoxybenzoic acid
- 4-Hydroxy-3-methoxybenzoic acid (vanillic acid)
- Acide vanillique
- Benzoic acid, 4-hydroxy-3-methoxy-
- NSC 3987
- NSC 674322
- Protocatechuic acid, 3-methyl ester
- VA
- m-Anisic acid, 4-hydroxy-
- p-Vanillic 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° | -406.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -557.73 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.19 | kJ/mol | Joback Calculated Property |
| log10WS | -2.05 | Aq. Sol... | |
| logPoct/wat | 1.099 | Crippen Calculated Property | |
| McVol | 119.000 | ml/mol | McGowan Calculated Property |
| Pc | 5228.24 | kPa | Joback Calculated Property |
| Inp | [1566.00; 1620.00] |
|
|
| Inp | 1592.00 | NIST | |
| Inp | 1566.00 | NIST | |
| Inp | 1566.00 | NIST | |
| Inp | 1620.00 | NIST | |
| Inp | 1570.00 | NIST | |
| Inp | 1608.00 | NIST | |
| Tboil | 663.19 | K | Joback Calculated Property |
| Tc | 878.05 | K | Joback Calculated Property |
| Tfus | [478.00; 485.48] | K |
|
| Tfus | 485.48 | K | Aq. Sol... |
| Tfus | 480.70 | K | Solubil... |
| Tfus | 484.90 | K | Measure... |
| Tfus | 483.00 ± 5.00 | K | NIST |
| Tfus | 478.00 ± 4.00 | K | NIST |
| Vc | 0.385 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [298.09; 340.07] | J/mol×K | [663.19; 878.05] |
|
| Cp,gas | 298.09 | J/mol×K | 663.19 | Joback Calculated Property |
| Cp,gas | 306.15 | J/mol×K | 699.00 | Joback Calculated Property |
| Cp,gas | 313.72 | J/mol×K | 734.81 | Joback Calculated Property |
| Cp,gas | 320.86 | J/mol×K | 770.62 | Joback Calculated Property |
| Cp,gas | 327.60 | J/mol×K | 806.43 | Joback Calculated Property |
| Cp,gas | 333.98 | J/mol×K | 842.24 | Joback Calculated Property |
| Cp,gas | 340.07 | J/mol×K | 878.05 | Joback Calculated Property |
| η | [0.0000078; 0.0003059] | Pa×s | [463.56; 663.19] |
|
| η | 0.0003059 | Pa×s | 463.56 | Joback Calculated Property |
| η | 0.0001353 | Pa×s | 496.83 | Joback Calculated Property |
| η | 0.0000663 | Pa×s | 530.10 | Joback Calculated Property |
| η | 0.0000353 | Pa×s | 563.38 | Joback Calculated Property |
| η | 0.0000202 | Pa×s | 596.65 | Joback Calculated Property |
| η | 0.0000123 | Pa×s | 629.92 | Joback Calculated Property |
| η | 0.0000078 | Pa×s | 663.19 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Vanillic acid.
Mixtures
- Propanoic acid, 2-hydroxy-, ethyl ester + Vanillic acid + Water
- Ethanol + Vanillic acid
- 1-Propanol + Vanillic acid
- Isopropyl Alcohol + Vanillic acid
- 1-Butanol + Vanillic acid
- 1-Propanol, 2-methyl- + Vanillic acid
- Acetone + Vanillic acid
- Acetic acid, methyl ester + Vanillic acid
- Vanillic acid + Water
- Ethanol + Vanillic acid + Water
- potassium chloride + Vanillic acid + Water
- sodium chloride + Vanillic acid + Water
- lithium chloride + Vanillic acid + Water
- Potassium nitrate + Vanillic acid + Water
- Sodium nitrate + Vanillic acid + Water
- Carbon dioxide + Vanillic acid
- Carbon dioxide + Vanillin + Vanillic acid
Sources
- 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 of high-value compounds in ethyl lactate: Measurements and modelling
- Solubility of high-value compounds in environmentally friendly solvents liquid poly(ethylene glycol) and ionic liquids: Experimental study and thermodynamic analysis
- Measurement and Correlation of the Solubility of Vanillic Acid in Eight Pure and Water + Ethanol Mixed Solvents at Temperatures from (293.15 to 323.15) K
- Solubility of Binary and Ternary Systems Containing Vanillin and Vanillic Acid in Supercritical Carbon Dioxide
- 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
- Joback Method
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
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