- InChI
- InChI=1S/C9H13ClN2/c1-6(2)4-8-5-11-9(10)7(3)12-8/h5-6H,4H2,1-3H3
- InChI Key
- BLAZRQIWPGECMI-UHFFFAOYSA-N
- Formula
- C9H13ClN2
- SMILES
- Cc1nc(CC(C)C)cnc1Cl
- Molecular Weight1
- 184.67
- Other Names
-
- Pyrazine, 2-chloro-3-methyl-5-(2-methylpropyl)
- 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 | 0.4622 | Relay (1.0) Calculated Property | |
| ΔfG° | 178.58 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -12.59 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 58.10 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.03 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.98 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.637 | Crippen Calculated Property | |
| McVol | 146.110 | ml/mol | McGowan Calculated Property |
| Pc | 2828.79 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1264.00; 1264.00] |
|
|
| Inp | 1264.00 | NIST | |
| Inp | 1264.00 | NIST | |
| I | 1600.00 | NIST | |
| Tboil | 496.51 | K | Relay (1.0) Calculated Property |
| Tc | 736.97 | K | Relay (1.0) Calculated Property |
| Tfus | 300.31 | K | Relay (1.0) Calculated Property |
| Vc | 0.539 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2-chloro-5-isobutyl-3-methylpyrazine.
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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