- InChI
- InChI=1S/C6H6N2O/c1-5(9)6-4-7-2-3-8-6/h2-4H,1H3
- InChI Key
- DBZAKQWXICEWNW-UHFFFAOYSA-N
- Formula
- C6H6N2O
- SMILES
- CC(=O)c1cnccn1
- Molecular Weight1
- 122.12
- Other Names
-
- acetylpyrazine
- pyrazine, acetyl-
- 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.
- 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 | 0.4279 | Relay (1.0) Calculated Property | |
| ΔfG° | 79.92 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 21.51 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 64.79 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.56 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.02 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.679 | Crippen Calculated Property | |
| McVol | 93.170 | ml/mol | McGowan Calculated Property |
| Pc | 4914.17 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1033.00; 1033.00] |
|
|
| Inp | 1033.00 | NIST | |
| Inp | 1033.00 | NIST | |
| Tboil | 482.57 | K | Relay (1.0) Calculated Property |
| Tc | 744.99 | K | Relay (1.0) Calculated Property |
| Tfus | 343.45 | K | Relay (1.0) Calculated Property |
| Vc | 0.347 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2-Acetylpyrazine.
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
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