- InChI
- InChI=1S/C6H6N2O2/c1-4-2-8-5(3-7-4)6(9)10/h2-3H,1H3,(H,9,10)
- InChI Key
- RBYJWCRKFLGNDB-UHFFFAOYSA-N
- Formula
- C6H6N2O2
- SMILES
- Cc1cnc(C(=O)O)cn1
- Molecular Weight1
- 138.12
- CAS
- 5521-55-1
- Other Names
-
- 2-Methyl-5-pyrazine carboxylic acid
- 2-Pyrazinecarboxylic acid, 5-methyl-
- 5-methylpyrazine-2-carboxylic acid
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔsubH° | 100.90 ± 1.50 | kJ/mol | NIST |
| ΔvapH° | 81.78 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 0.483 | Crippen Calculated Property | |
| McVol | 99.040 | ml/mol | McGowan Calculated Property |
| Tboil | 540.82 | K | Relay (1.0) Calculated Property |
| Tfus | 445.05 | K | Relay (1.0) Calculated Property |
| Ttriple | 440.35 | K | Solubility Determination and Thermodynamic Mixing Properties of 5-Methyl-2-pyrazinecarboxylic Acid in Different Solvents |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Similar Compounds
Find more compounds similar to 2-Methylpyrazine-5-carboxylic acid.
Mixtures
- 2-Methylpyrazine-5-carboxylic acid + Methyl Alcohol
- Ethanol + 2-Methylpyrazine-5-carboxylic acid
- 1-Propanol + 2-Methylpyrazine-5-carboxylic acid
- 2-Propanol + 2-Methylpyrazine-5-carboxylic acid
- 2-Methylpyrazine-5-carboxylic acid + 1-Butanol
- 2-Methylpyrazine-5-carboxylic acid + Acetone
- 2-Butanone + 2-Methylpyrazine-5-carboxylic acid
- Toluene + 2-Methylpyrazine-5-carboxylic acid
- Acetonitrile + 2-Methylpyrazine-5-carboxylic acid
- 2-Methylpyrazine-5-carboxylic acid + Ethyl Acetate
- 2-Methylpyrazine-5-carboxylic acid + 1,4-Dioxane
- 2-Methylpyrazine-5-carboxylic acid + Water
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Solubility Determination and Thermodynamic Mixing Properties of 5-Methyl-2-pyrazinecarboxylic Acid in Different Solvents
- McGowan Method
- NIST Webbook
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