- InChI
- InChI=1S/C7H8N2O/c1-5-3-8-4-7(9-5)6(2)10/h3-4H,1-2H3
- InChI Key
- YVSDZDUKXQLFLV-UHFFFAOYSA-N
- Formula
- C7H8N2O
- SMILES
- CC(=O)c1cncc(C)n1
- Molecular Weight1
- 136.15
- CAS
- 22047-26-3
- Other Names
-
- 1-(6-Methyl-2-pyrazinyl)ethanone
- 1-(6-Methyl-2-pyranizyl)-1-ethanone
- 2-Acetyl-6-methylpyrazine
- 2-Methyl-6-acetylpyrazine
- 6-Methyl-2-acetylpyrazine
- Pyrazine, 2-acetyl-6-methyl
- Pyrazine, 6-acetyl-2-methyl
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation 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).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- 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 | 0.4633 | Relay (... Calculated Property | |
| ΔfG° | 69.83 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -20.72 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 64.62 | kJ/mol | Relay (... Calculated Property |
| IE | 9.25 | eV | Relay (... Calculated Property |
| log10WS | -0.33 | Relay (... Calculated Property | |
| logPoct/wat | 0.988 | Crippen Calculated Property | |
| McVol | 107.260 | ml/mol | McGowan Calculated Property |
| Pc | 4348.41 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [1080.00; 1095.00] |
|
|
| Inp | 1088.00 | NIST | |
| Inp | 1093.00 | NIST | |
| Inp | 1080.00 | NIST | |
| Inp | 1083.00 | NIST | |
| Inp | 1083.00 | NIST | |
| Inp | 1088.00 | NIST | |
| Inp | 1088.00 | NIST | |
| Inp | 1089.00 | NIST | |
| Inp | 1095.00 | NIST | |
| Inp | 1088.00 | NIST | |
| I | [1676.00; 1705.00] |
|
|
| I | 1688.00 | NIST | |
| I | 1676.00 | NIST | |
| I | 1705.00 | NIST | |
| I | 1679.00 | NIST | |
| I | 1694.00 | NIST | |
| Tboil | 492.90 | K | Relay (... Calculated Property |
| Tc | 742.21 | K | Relay (... Calculated Property |
| Tfus | 356.90 | K | Relay (... Calculated Property |
| Vc | 0.404 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 1-(6-Methyl-2-pyrazinyl)-1-ethanone.
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
- McGowan Method
- NIST Webbook
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