- InChI
- InChI=1S/C8H10N2O/c1-5-4-9-8(7(3)11)6(2)10-5/h4H,1-3H3
- InChI Key
- UCGOSAWBWFUKDT-UHFFFAOYSA-N
- Formula
- C8H10N2O
- SMILES
- CC(=O)c1ncc(C)nc1C
- Molecular Weight1
- 150.18
- CAS
- 54300-08-2
- Other Names
-
- 2-Acetyl-3,5-dimethylpyrazine
- 1-(3,5-Dimethyl-2-pyrazinyl)-1-ethanone
- Pyrazine, 2-acetyl-3,5-dimethyl
- 1-(3,5-dimethylpyrazinyl)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 | 0.4943 | Relay (1.0) Calculated Property | |
| ΔfG° | 64.54 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -61.16 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 61.82 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.78 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.63 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.296 | Crippen Calculated Property | |
| McVol | 121.350 | ml/mol | McGowan Calculated Property |
| Pc | 3807.62 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1153.00; 1174.00] |
|
|
| Inp | 1153.00 | NIST | |
| Inp | 1153.00 | NIST | |
| Inp | 1174.00 | NIST | |
| Inp | 1153.00 | NIST | |
| Inp | 1153.00 | NIST | |
| I | [1629.00; 1654.00] |
|
|
| I | 1654.00 | NIST | |
| I | 1629.00 | NIST | |
| I | 1629.00 | NIST | |
| I | 1629.00 | NIST | |
| Tboil | 501.63 | K | Relay (1.0) Calculated Property |
| Tc | 741.37 | K | Relay (1.0) Calculated Property |
| Tfus | 343.08 | K | Relay (1.0) Calculated Property |
| Vc | 0.461 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Ethanone, 1-(3,5-dimethylpyrazinyl)-.
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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