- InChI
- InChI=1S/C7H6O4/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,8-9H,(H,10,11)
- InChI Key
- GLDQAMYCGOIJDV-UHFFFAOYSA-N
- Formula
- C7H6O4
- SMILES
- O=C(O)c1cccc(O)c1O
- Molecular Weight1
- 154.12
- CAS
- 303-38-8
- Other Names
-
- 2,3 DHB
- 2,3-dihydroxybenzoic acid
- 3-Hydroxysalicylic acid
- Catechol-3-carboxylic acid
- DOBK
- Pyrocatechuic acid
- o-Pyrocatechuic 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).
- 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 | 0.8581 | Relay (1.0) Calculated Property | |
| ΔfG° | -454.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -652.83 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.90 | kJ/mol | Vapor Pressures and Enthalpies of Combustion of the Dihydroxybenzoic Acid Isomers |
| ΔsubH° | 110.70 ± 0.80 | kJ/mol | NIST |
| ΔvapH° | 112.29 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.57 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.20 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.796 | Crippen Calculated Property | |
| McVol | 104.910 | ml/mol | McGowan Calculated Property |
| Pc | 8175.04 | kPa | Joback Calculated Property |
| Inp | 1372.00 | NIST | |
| Tboil | 550.18 | K | Relay (1.0) Calculated Property |
| Tc | 881.70 | K | Relay (1.0) Calculated Property |
| Tfus | 451.55 | K | Relay (1.0) Calculated Property |
| Vc | 0.363 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [267.80; 301.93] | J/mol×K | [693.53; 922.45] | 
|
| Cp,gas | 267.80 | J/mol×K | 693.53 | Joback Calculated Property |
| Cp,gas | 273.90 | J/mol×K | 731.68 | Joback Calculated Property |
| Cp,gas | 279.67 | J/mol×K | 769.84 | Joback Calculated Property |
| Cp,gas | 285.24 | J/mol×K | 807.99 | Joback Calculated Property |
| Cp,gas | 290.73 | J/mol×K | 846.15 | Joback Calculated Property |
| Cp,gas | 296.25 | J/mol×K | 884.30 | Joback Calculated Property |
| Cp,gas | 301.93 | J/mol×K | 922.45 | Joback Calculated Property |
| η | [0.0000008; 0.0000285] | Pa×s | [529.26; 693.53] |
|
| η | 0.0000285 | Pa×s | 529.26 | Joback Calculated Property |
| η | 0.0000136 | Pa×s | 556.64 | Joback Calculated Property |
| η | 0.0000069 | Pa×s | 584.02 | Joback Calculated Property |
| η | 0.0000038 | Pa×s | 611.39 | Joback Calculated Property |
| η | 0.0000021 | Pa×s | 638.77 | Joback Calculated Property |
| η | 0.0000013 | Pa×s | 666.15 | Joback Calculated Property |
| η | 0.0000008 | Pa×s | 693.53 | Joback Calculated Property |
| ΔfusH | 31.90 | kJ/mol | 476.60 | NIST |
| ΔsubH | 109.10 ± 0.80 | kJ/mol | 354.00 | NIST |
Similar Compounds
Find more compounds similar to Benzoic acid, 2,3-dihydroxy-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Vapor Pressures and Enthalpies of Combustion of the Dihydroxybenzoic Acid Isomers
- Joback Method
- McGowan Method
- NIST Webbook
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