- InChI
- InChI=1S/C11H18N2/c1-7(2)6-11-10(5)12-8(3)9(4)13-11/h7H,6H2,1-5H3
- InChI Key
- CMCOFWHSAGPVSF-UHFFFAOYSA-N
- Formula
- C11H18N2
- SMILES
- Cc1nc(C)c(CC(C)C)nc1C
- Molecular Weight1
- 178.27
- CAS
- 46187-37-5
- Other Names
-
- Pyrazine, 3,5,6-trimethyl-2-isobutyl
- trimethylisobutylpyrazine
- 2-Isobutyl-3,5,6-trimethylpyrazine
- 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 | 0.4987 | Relay (... Calculated Property | |
| ΔfG° | 178.63 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -18.31 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 64.50 | kJ/mol | Relay (... Calculated Property |
| IE | 8.38 | eV | Relay (... Calculated Property |
| log10WS | -1.70 | Relay (... Calculated Property | |
| logPoct/wat | 2.600 | Crippen Calculated Property | |
| McVol | 162.050 | ml/mol | McGowan Calculated Property |
| Pc | 2381.00 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [1263.00; 1263.00] |
|
|
| Inp | 1263.00 | NIST | |
| Inp | 1263.00 | NIST | |
| I | [1556.00; 1580.00] |
|
|
| I | 1556.00 | NIST | |
| I | 1580.00 | NIST | |
| I | 1556.00 | NIST | |
| Tboil | 489.93 | K | Relay (... Calculated Property |
| Tc | 717.91 | K | Relay (... Calculated Property |
| Tfus | 283.99 | K | Relay (... Calculated Property |
| Vc | 0.608 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 2-(2-Methylpropyl)-3,5,6-trimethylpyrazine.
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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