- InChI
- InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11)
- InChI Key
- YQUVCSBJEUQKSH-UHFFFAOYSA-N
- Formula
- C7H6O4
- SMILES
- O=C(O)c1ccc(O)c(O)c1
- Molecular Weight1
- 154.12
- CAS
- 99-50-3
- Other Names
-
- 3,4-dihydroxybenzoic acid
- 4-Carboxy-1,2-dihydroxybenzene
- Protocatechuic acid
- protocatechoic acid
- ω : Acentric Factor.
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation 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).
- Pc : Critical Pressure (kPa).
- Psub : Sublimation 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 |
|---|---|---|---|
| ω | 0.8549 | Relay (1.0) Calculated Property | |
| ΔfG° | -532.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -652.80 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 34.00 | kJ/mol | Thermochemical study of 2,4-, 2,6- and 3,4-dihydroxybenzoic acids in the liquid phase using a TG apparatus |
| ΔsubH° | 135.10 ± 1.20 | kJ/mol | NIST |
| ΔvapH° | 125.21 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.86 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.14 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.796 | Crippen Calculated Property | |
| McVol | 104.910 | ml/mol | McGowan Calculated Property |
| Pc | 7280.22 | kPa | Joback Calculated Property |
| Inp | [1557.00; 1557.00] |
|
|
| Inp | 1557.00 | NIST | |
| Inp | 1557.00 | NIST | |
| Tboil | 558.98 | K | Relay (1.0) Calculated Property |
| Tc | 880.08 | K | Relay (1.0) Calculated Property |
| Tfus | 541.18 | K | Relay (1.0) Calculated Property |
| Vc | 0.360 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
Similar Compounds
Find more compounds similar to Benzoic acid, 3,4-dihydroxy-.
Mixtures
- Benzoic acid, 3,4-dihydroxy- + Water
- potassium chloride + Benzoic acid, 3,4-dihydroxy- + Water
- Benzoic acid, 3,4-dihydroxy- + sodium chloride + Water
- Benzoic acid, 3,4-dihydroxy- + Lithium chloride + Water
- Potassium nitrate + Benzoic acid, 3,4-dihydroxy- + Water
- Benzoic acid, 3,4-dihydroxy- + Sodium nitrate + Water
- Benzoic acid, 3,4-dihydroxy- + Sodium sulfate + Water
- Benzoic acid, 3,4-dihydroxy- + Methyl Alcohol
- Benzoic acid, 3,4-dihydroxy- + Ethanol
- Benzoic acid, 3,4-dihydroxy- + Acetic acid, methyl ester
- Benzoic acid, 3,4-dihydroxy- + Ethyl Acetate
- Benzoic acid, 3,4-dihydroxy- + Acetic acid, 2-methylpropyl ester + Water
- Toluene + Benzoic acid, 3,4-dihydroxy- + Water
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Binary diffusion coefficients of phenolic compounds in subcritical water using a chromatographic peak broadening technique
- 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
- Simultaneous determination of enthalpies of dilution and dissociation of protocatechuic acid in aqueous salt solutions by calorimetric measurements
- Thermochemical study of 2,4-, 2,6- and 3,4-dihydroxybenzoic acids in the liquid phase using a TG apparatus
- Determination and Correlation of Ethyl Vanillin Solubility in Different Binary Solvents at Temperatures from 273.15 to 313.15 K
- Separation of Protocatechuic Acid Using Di-(2-ethylhexyl)phosphoric Acid in Isobutyl Acetate, Toluene, and Petroleum Ether
- Experimental Measurement and Correlation of Solubility Data and Thermodynamic Properties of Protocatechuic Acid in Four Organic Solvents
- Solubility of Gallic Acid, Vanillin, Syringic Acid, and Protocatechuic Acid in Aqueous Sulfate Solutions from (293.15 to 318.15) K
- Temperature Effect on the Distribution of Some Phenolic Compounds: An Experimental Measurement of 1-Octanol/Water Partition Coefficients
- Vapor Pressures and Enthalpies of Combustion of the Dihydroxybenzoic Acid Isomers
- Solubility of Gallic Acid, Catechin, and Protocatechuic Acid in Subcritical Water from (298.75 to 415.85) K
- Joback Method
- McGowan Method
- NIST Webbook
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