- InChI
- InChI=1S/C7H6O4/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,8-9H,(H,10,11)
- InChI Key
- WXTMDXOMEHJXQO-UHFFFAOYSA-N
- Formula
- C5H11NO2
- SMILES
- O=C(O)c1cc(O)ccc1O
- Molecular Weight1
- 117.15
- CAS
- 490-79-9
- Other Names
-
- 2,5-Dhba
- 2,5-Dihydroxybenzoic acid
- 2,5-Dioxybenzoic acid
- 3,6-Dihydroxybenzoic acid
- 5-Hydroxysalicylic acid
- Benzoic acid, 2,5-dihydroxy-
- Gensigen
- Gensigon
- Gentisate
- Gentisinic acid
- Hydroquinonecarboxylic acid
- Kyselina 2,5-dihydroxybenzoova
- Kyselina gentisinova
- NSC 27224
- Salicylic acid, 5-hydroxy-
- ω : Acentric Factor.
- PAff : Proton affinity (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).
- 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).
- 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 | 0.8424 | Relay (1.0) Calculated Property | |
| PAff | 531.60 ± 1.30 | kJ/mol | NIST |
| ΔfG° | -454.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -645.30 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.80 | kJ/mol | Vapor Pressures and Enthalpies of Combustion of the Dihydroxybenzoic Acid Isomers |
| ΔsubH° | 130.40 ± 1.30 | kJ/mol | NIST |
| ΔvapH° | 105.54 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.46 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.11 | Aq. Solubility Prediction | |
| logPoct/wat | 0.796 | Crippen Calculated Property | |
| McVol | 104.910 | ml/mol | McGowan Calculated Property |
| Pc | 8175.04 | kPa | Joback Calculated Property |
| Tboil | 566.61 | K | Relay (1.0) Calculated Property |
| Tc | 885.14 | K | Relay (1.0) Calculated Property |
| Tfus | 476.40 | K | Aq. Solubility Prediction |
| Vc | 0.358 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
Similar Compounds
Find more compounds similar to Gentisic acid.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Vapor Pressure Characterization of Several Phenolics and Polyhydric Compounds by Knudsen Effusion Method
- Vapor Pressures and Enthalpies of Combustion of the Dihydroxybenzoic Acid Isomers
- Joback Method
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
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