- 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-
- 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).
- 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 |
|---|---|---|---|
| PAff | 531.60 ± 1.30 | kJ/mol | NIST |
| ΔfG° | -454.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -570.71 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.80 | kJ/mol | Vapor P... |
| ΔsubH° | 130.40 ± 1.30 | kJ/mol | NIST |
| ΔvapH° | 82.90 | kJ/mol | Joback Calculated Property |
| log10WS | -0.11 | Aq. Sol... | |
| logPoct/wat | 0.796 | Crippen Calculated Property | |
| McVol | 104.910 | ml/mol | McGowan Calculated Property |
| Pc | 8175.04 | kPa | Joback Calculated Property |
| Tboil | 693.53 | K | Joback Calculated Property |
| Tc | 922.45 | K | Joback Calculated Property |
| Tfus | 476.40 | K | Aq. Sol... |
| Vc | 0.277 | m3/kmol | Joback 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 | 20.80 | kJ/mol | 476.20 | NIST |
| ΔsubH | [117.90; 128.10] | kJ/mol | [370.50; 380.50] |
|
| ΔsubH | 117.90 ± 1.40 | kJ/mol | 370.50 | NIST |
| ΔsubH | 128.10 ± 1.40 | kJ/mol | 380.50 | NIST |
| Psub | [5.23e-05; 3.07e-04] | kPa | [361.80; 378.70] |
|
| Psub | 5.23e-05 | kPa | 361.80 | Vapor P... |
| Psub | 5.50e-05 | kPa | 362.00 | Vapor P... |
| Psub | 5.61e-05 | kPa | 362.00 | Vapor P... |
| Psub | 6.93e-05 | kPa | 363.90 | Vapor P... |
| Psub | 7.14e-05 | kPa | 364.00 | Vapor P... |
| Psub | 6.86e-05 | kPa | 364.10 | Vapor P... |
| Psub | 8.54e-05 | kPa | 365.70 | Vapor P... |
| Psub | 8.63e-05 | kPa | 366.10 | Vapor P... |
| Psub | 8.54e-05 | kPa | 366.20 | Vapor P... |
| Psub | 1.04e-04 | kPa | 368.20 | Vapor P... |
| Psub | 1.10e-04 | kPa | 368.20 | Vapor P... |
| Psub | 1.10e-04 | kPa | 368.20 | Vapor P... |
| Psub | 1.35e-04 | kPa | 370.00 | Vapor P... |
| Psub | 1.34e-04 | kPa | 370.20 | Vapor P... |
| Psub | 1.40e-04 | kPa | 370.30 | Vapor P... |
| Psub | 1.62e-04 | kPa | 372.30 | Vapor P... |
| Psub | 1.65e-04 | kPa | 372.30 | Vapor P... |
| Psub | 1.59e-04 | kPa | 372.40 | Vapor P... |
| Psub | 2.19e-04 | kPa | 374.40 | Vapor P... |
| Psub | 2.19e-04 | kPa | 374.50 | Vapor P... |
| Psub | 2.21e-04 | kPa | 374.60 | Vapor P... |
| Psub | 2.47e-04 | kPa | 376.40 | Vapor P... |
| Psub | 2.57e-04 | kPa | 376.50 | Vapor P... |
| Psub | 2.49e-04 | kPa | 376.70 | Vapor P... |
| Psub | 2.95e-04 | kPa | 378.60 | Vapor P... |
| Psub | 3.07e-04 | kPa | 378.60 | Vapor P... |
| Psub | 2.98e-04 | kPa | 378.70 | Vapor P... |
Similar Compounds
Find more compounds similar to Gentisic acid.
Sources
- 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
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.