- InChI
- InChI=1S/C8H12N2/c1-7(2)5-8-6-9-3-4-10-8/h3-4,6-7H,5H2,1-2H3
- InChI Key
- YAIMUUJMEBJXAA-UHFFFAOYSA-N
- Formula
- C8H12N2
- SMILES
- CC(C)Cc1cnccn1
- Molecular Weight1
- 136.19
- CAS
- 29460-92-2
- Other Names
-
- (2-Methylpropyl)pyrazine
- 2-Isobutylpyrazine
- 2-(2-Methylpropyl)pyrazine
- Isobutylpyrazine
- 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 | 0.4153 | Relay (1.0) Calculated Property | |
| ΔfG° | 209.42 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 77.61 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 55.89 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.37 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.49 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.675 | Crippen Calculated Property | |
| McVol | 119.780 | ml/mol | McGowan Calculated Property |
| Pc | 3277.22 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1043.00; 1043.00] |
|
|
| Inp | 1043.00 | NIST | |
| Inp | 1043.00 | NIST | |
| Inp | 1043.00 | NIST | |
| I | [1406.00; 1465.00] |
|
|
| I | 1465.00 | NIST | |
| I | 1406.00 | NIST | |
| I | 1465.00 | NIST | |
| I | 1406.00 | NIST | |
| Tboil | 454.99 | K | Relay (1.0) Calculated Property |
| Tc | 686.67 | K | Relay (1.0) Calculated Property |
| Tfus | 231.67 | K | Relay (1.0) Calculated Property |
| Vc | 0.441 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Pyrazine, (2-methylpropyl)-.
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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