- InChI
- InChI=1S/C4H3ClN2/c5-4-3-6-1-2-7-4/h1-3H
- InChI Key
- GELVZYOEQVJIRR-UHFFFAOYSA-N
- Formula
- C4H3ClN2
- SMILES
- Clc1cnccn1
- Molecular Weight1
- 114.53
- CAS
- 14508-49-7
- Other Names
-
- 2-Chloropyrazine
- Pyrazine, chloro-
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔvapH° | 45.10 ± 1.50 | kJ/mol | NIST |
| log10WS | -1.69 | Crippen Calculated Property | |
| logPoct/wat | 1.130 | Crippen Calculated Property | |
| McVol | 75.660 | ml/mol | McGowan Calculated Property |
| Inp | [861.00; 895.00] |
|
|
| Inp | 895.00 | NIST | |
| Inp | 895.00 | NIST | |
| Inp | 861.00 | NIST | |
| I | 1351.00 | NIST | |
| Tboil | 426.70 | K | NIST |
Similar Compounds
Find more compounds similar to Chloropyrazine.
Sources
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