- InChI
- InChI=1S/C8H10N2O/c1-3-7-8(6(2)11)10-5-4-9-7/h4-5H,3H2,1-2H3
- InChI Key
- PPJSYGVFDJEMRP-UHFFFAOYSA-N
- Formula
- C8H10N2O
- SMILES
- CCc1nccnc1C(C)=O
- Molecular Weight1
- 150.18
- CAS
- 32974-92-8
- Other Names
-
- Ethanone, 1-(3-ethylpyrazinyl)-
- 1-(3-Ethyl-2-pyrazinyl)ethanone
- 2-Ethyl-3-acetyl pyrazine
- 3-Ethyl-2-acetylpyrazine
- Pyrazine, 2-acetyl-3-ethyl
- 1-(3-ethylpyrazinyl)ethan-1-one
- 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 | 0.5021 | Relay (1.0) Calculated Property | |
| ΔfG° | 75.86 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -44.45 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 63.48 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.04 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.65 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.242 | Crippen Calculated Property | |
| McVol | 121.350 | ml/mol | McGowan Calculated Property |
| Pc | 3487.38 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1135.00; 1172.00] |
|
|
| Inp | 1142.00 | NIST | |
| Inp | 1168.00 | NIST | |
| Inp | 1172.00 | NIST | |
| Inp | 1138.00 | NIST | |
| Inp | 1138.00 | NIST | |
| Inp | 1158.00 | NIST | |
| Inp | 1158.00 | NIST | |
| Inp | 1135.00 | NIST | |
| Inp | 1167.00 | NIST | |
| Inp | 1170.00 | NIST | |
| Inp | 1138.00 | NIST | |
| Inp | 1158.00 | NIST | |
| Inp | 1138.00 | NIST | |
| I | [1617.00; 1617.00] |
|
|
| I | 1617.00 | NIST | |
| I | 1617.00 | NIST | |
| I | 1617.00 | NIST | |
| Tboil | 501.55 | K | Relay (1.0) Calculated Property |
| Tc | 736.61 | K | Relay (1.0) Calculated Property |
| Tfus | 321.43 | K | Relay (1.0) Calculated Property |
| Vc | 0.455 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2-Acetyl-3-ethylpyrazine.
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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