- 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
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔsubH° : Enthalpy of sublimation at standard conditions (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).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (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 | 0.6822 | Relay (1.0) Calculated Property | |
| ΔfG° | -102.19 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -225.48 | kJ/mol | Relay (1.0) Calculated Property |
| ΔsubH° | 100.90 ± 1.50 | kJ/mol | NIST |
| ΔvapH° | 83.01 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.20 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.52 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.483 | Crippen Calculated Property | |
| McVol | 99.040 | ml/mol | McGowan Calculated Property |
| Pc | 4973.79 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 540.82 | K | Relay (1.0) Calculated Property |
| Tc | 800.10 | K | Relay (1.0) Calculated Property |
| Tfus | 451.51 | 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 |
| Vc | 0.363 | m3/kmol | Relay (1.0) Calculated Property |
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
- Isopropyl Alcohol + 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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