- InChI
- InChI=1S/C5H6N2O/c1-8-5-4-6-2-3-7-5/h2-4H,1H3
- InChI Key
- WKSXRWSOSLGSTN-UHFFFAOYSA-N
- Formula
- C5H6N2O
- SMILES
- COc1cnccn1
- Molecular Weight1
- 110.11
- CAS
- 3149-28-8
- Other Names
-
- 2-Methoxypyrazine
- methoxypyrazine
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔvapH° | 52.12 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.20 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 0.485 | Crippen Calculated Property | |
| McVol | 83.380 | ml/mol | McGowan Calculated Property |
| Inp | [877.00; 904.00] |
|
|
| Inp | 877.00 | NIST | |
| Inp | 877.00 | NIST | |
| Inp | 877.00 | NIST | |
| Inp | 904.00 | NIST | |
| Inp | 896.00 | NIST | |
| Inp | 904.00 | NIST | |
| I | [1306.00; 1306.00] |
|
|
| I | 1306.00 | NIST | |
| I | 1306.00 | NIST | |
| Tboil | 436.96 | K | Relay (1.0) Calculated Property |
| Tfus | 275.11 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, 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.
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 334.20 | K | 3.90 | NIST |
Similar Compounds
Find more compounds similar to Pyrazine, methoxy-.
Mixtures
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 of Pyrazine and Its Derivatives in Supercritical Carbon Dioxide
- 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.
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