- InChI
- InChI=1S/C6H7ClN2/c1-2-5-6(7)9-4-3-8-5/h3-4H,2H2,1H3
- InChI Key
- JDBIYZFYKSYXPK-UHFFFAOYSA-N
- Formula
- C6H7ClN2
- SMILES
- CCc1nccnc1Cl
- Molecular Weight1
- 142.59
- CAS
- 63450-95-3
- Other Names
-
- 2-chloro-3-ethylpyrazine
- Pyrazine, 2-chloro-3-ethyl-
- 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 | 0.3746 | Relay (1.0) Calculated Property | |
| ΔfG° | 191.56 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 84.66 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 52.01 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.32 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.73 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.692 | Crippen Calculated Property | |
| McVol | 103.840 | ml/mol | McGowan Calculated Property |
| Pc | 4136.52 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1044.00; 1076.00] |
|
|
| Inp | 1044.00 | NIST | |
| Inp | 1074.00 | NIST | |
| Inp | 1076.00 | NIST | |
| I | [1467.00; 1467.00] |
|
|
| I | 1467.00 | NIST | |
| I | 1467.00 | NIST | |
| Tboil | 463.86 | K | Relay (1.0) Calculated Property |
| Tc | 704.85 | K | Relay (1.0) Calculated Property |
| Tfus | 293.84 | K | Relay (1.0) Calculated Property |
| Vc | 0.381 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 3-ethyl-2-chloropyrazine.
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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