- InChI
- InChI=1S/C5H5ClN2/c1-4-5(6)8-3-2-7-4/h2-3H,1H3
- InChI Key
- WZHWPZQQPWKEAV-UHFFFAOYSA-N
- Formula
- C5H5ClN2
- SMILES
- Cc1nccnc1Cl
- Molecular Weight1
- 128.56
- CAS
- 95-58-9
- Other Names
-
- 2-Chloro-3-methylpyrazine
- 2-Methyl-3-chloropyrazine
- 3-Chloro-2-methyl pyrazine
- 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 | 0.3239 | Relay (1.0) Calculated Property | |
| ΔfG° | 192.98 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 105.28 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 49.44 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.31 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.25 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.438 | Crippen Calculated Property | |
| McVol | 89.750 | ml/mol | McGowan Calculated Property |
| Pc | 5206.25 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [951.00; 951.00] |
|
|
| Inp | 951.00 | NIST | |
| Inp | 951.00 | NIST | |
| I | [1399.00; 1399.00] |
|
|
| I | 1399.00 | NIST | |
| I | 1399.00 | NIST | |
| Tboil | 453.14 | K | Relay (1.0) Calculated Property |
| Tc | 708.00 | K | Relay (1.0) Calculated Property |
| Tfus | 309.68 | K | Relay (1.0) Calculated Property |
| Vc | 0.327 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Pyrazine, 2-chloro-3-methyl-.
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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