- InChI
- InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)
- InChI Key
- LNTHITQWFMADLM-UHFFFAOYSA-N
- Formula
- C7H6O5
- SMILES
- O=C(O)c1cc(O)c(O)c(O)c1
- Molecular Weight1
- 170.12
- CAS
- 149-91-7
- Other Names
-
- 3,4,5-Trihydroxybenzoic acid
- Gallic acid
- Kyselina 3,4,5-trihydroxybenzoova
- Kyselina gallova
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (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 |
|---|---|---|---|
| ΔcH°solid | -2600.00 ± 5.00 | kJ/mol | NIST |
| ΔfG° | -609.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -748.02 | kJ/mol | Joback Calculated Property |
| ΔfH°solid | -1013.00 ± 5.00 | kJ/mol | NIST |
| ΔfusH° | 30.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.92 | kJ/mol | Joback Calculated Property |
| log10WS | -1.16 | Aq. Sol... | |
| logPoct/wat | 0.502 | Crippen Calculated Property | |
| McVol | 110.780 | ml/mol | McGowan Calculated Property |
| Pc | 10918.83 | kPa | Joback Calculated Property |
| Inp | 1754.00 | NIST | |
| Tboil | 774.15 | K | Joback Calculated Property |
| Tc | 1010.28 | K | Joback Calculated Property |
| Tfus | [533.15; 536.60] | K |
|
| Tfus | 533.15 | K | Thermod... |
| Tfus | 536.60 | K | Thermoc... |
| Vc | 0.242 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [299.19; 339.13] | J/mol×K | [774.15; 1010.28] |
|
| Cp,gas | 299.19 | J/mol×K | 774.15 | Joback Calculated Property |
| Cp,gas | 304.89 | J/mol×K | 813.51 | Joback Calculated Property |
| Cp,gas | 310.73 | J/mol×K | 852.86 | Joback Calculated Property |
| Cp,gas | 316.89 | J/mol×K | 892.22 | Joback Calculated Property |
| Cp,gas | 323.55 | J/mol×K | 931.57 | Joback Calculated Property |
| Cp,gas | 330.91 | J/mol×K | 970.93 | Joback Calculated Property |
| Cp,gas | 339.13 | J/mol×K | 1010.28 | Joback Calculated Property |
| η | [2.2764543e-08; 0.0000004] | Pa×s | [640.98; 774.15] |
|
| η | 0.0000004 | Pa×s | 640.98 | Joback Calculated Property |
| η | 0.0000002 | Pa×s | 663.17 | Joback Calculated Property |
| η | 0.0000001 | Pa×s | 685.37 | Joback Calculated Property |
| η | 8.1649065e-08 | Pa×s | 707.57 | Joback Calculated Property |
| η | 5.1976473e-08 | Pa×s | 729.76 | Joback Calculated Property |
| η | 3.3981406e-08 | Pa×s | 751.95 | Joback Calculated Property |
| η | 2.2764543e-08 | Pa×s | 774.15 | Joback Calculated Property |
| ΔsubH | 75.10 | kJ/mol | 406.00 | NIST |
Similar Compounds
Find more compounds similar to Benzoic acid, 3,4,5-trihydroxy-.
Mixtures
- Benzoic acid, 3,4,5-trihydroxy- + Water
- potassium chloride + Benzoic acid, 3,4,5-trihydroxy- + Water
- sodium chloride + Benzoic acid, 3,4,5-trihydroxy- + Water
- Benzoic acid, 3,4,5-trihydroxy- + lithium chloride + Water
- Potassium nitrate + Benzoic acid, 3,4,5-trihydroxy- + Water
- Benzoic acid, 3,4,5-trihydroxy- + Sodium nitrate + Water
- Benzoic acid, 3,4,5-trihydroxy- + Ethanol + Water
- Benzoic acid, 3,4,5-trihydroxy- + 1-Octanol + Water
- Benzoic acid, 3,4,5-trihydroxy- + Ethyl Acetate + Water
- n-Hexane + Benzoic acid, 3,4,5-trihydroxy- + Water
- Toluene + Benzoic acid, 3,4,5-trihydroxy- + Water
- Carbon dioxide + Benzoic acid, 3,4,5-trihydroxy- + Ethanol
- Benzoic acid, 3,4,5-trihydroxy- + Methyl Alcohol
- Benzoic acid, 3,4,5-trihydroxy- + Ethanol
- Benzoic acid, 3,4,5-trihydroxy- + Ethyl Acetate
- Sodium sulfate + Benzoic acid, 3,4,5-trihydroxy- + Water
Sources
- Crippen Method
- Binary diffusion coefficients of phenolic compounds in subcritical water using a chromatographic peak broadening technique
- Thermodynamic modeling studies of aqueous solubility of caffeine, gallic acid and their cocrystal in the temperature range of 303 K-363 K
- 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 gallic acid in liquid mixtures of (ethanol + water) from (293.15 to 318.15) K
- Thermochemical and structural studies of gallic and ellagic acids
- Differential Scanning Calorimetry Data and Solubility of Rosmarinic Acid in Different Pure Solvents and in Binary Mixtures (Methyl Acetate + Water) and (Ethyl Acetate + Water) from 293.2 to 313.2 K
- Reactive Extraction of Gallic Acid Using Tributyl Phosphate in Different Classes of Diluents
- Solubilities of Gallic Acid and Its Esters in Water
- Solubility of the Natural Antioxidant Gallic Acid in Supercritical CO2 + Ethanol as a Cosolvent
- Solubility of Veratric Acid in Eight Monosolvents and Ethanol + 1-Butanol at Various Temperatures
- Solubility of Gallic Acid in Methanol, Ethanol, Water, and Ethyl Acetate
- Solubility of Gallic Acid, Vanillin, Syringic Acid, and Protocatechuic Acid in Aqueous Sulfate Solutions from (293.15 to 318.15) K
- Solubility of Gallic Acid, Catechin, and Protocatechuic Acid in Subcritical Water from (298.75 to 415.85) K
- Joback Method
- KDB
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.