- InChI
- InChI=1S/C10H16N2/c1-7(2)5-10-9(4)11-6-8(3)12-10/h6-7H,5H2,1-4H3
- InChI Key
- KEJOEQXAEQCAKT-UHFFFAOYSA-N
- Formula
- C10H16N2
- SMILES
- Cc1cnc(C)c(CC(C)C)n1
- Molecular Weight1
- 164.25
- CAS
- 32736-94-0
- Other Names
-
- Pyrazine, 3-isobutyl-2,5-dimethyl-
- 2,5-Dimethyl-3-isobutylpyrazine
- 3-Isobutyl-2,5-dimethylpyrazine
- 2,5-Dimethyl-3-(2-methylpropyl)pyrazine
- 2,5-Dimethyl-6-isobutylpyrazine
- 3,6-Dimethyl-2-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 | 0.4747 | Relay (... Calculated Property | |
| ΔfG° | 187.65 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | 0.75 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 59.75 | kJ/mol | Relay (... Calculated Property |
| IE | 8.68 | eV | Relay (... Calculated Property |
| log10WS | -1.06 | Relay (... Calculated Property | |
| logPoct/wat | 2.292 | Crippen Calculated Property | |
| McVol | 147.960 | ml/mol | McGowan Calculated Property |
| Pc | 2665.86 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [1184.00; 1227.00] |
|
|
| Inp | 1227.00 | NIST | |
| Inp | 1207.00 | NIST | |
| Inp | 1184.00 | NIST | |
| Inp | 1193.00 | NIST | |
| Inp | 1208.00 | NIST | |
| Inp | 1207.00 | NIST | |
| Inp | 1208.00 | NIST | |
| Inp | 1185.00 | NIST | |
| Inp | 1184.00 | NIST | |
| I | [1506.00; 1549.00] |
|
|
| I | 1549.00 | NIST | |
| I | 1506.00 | NIST | |
| I | 1521.00 | NIST | |
| I | 1520.00 | NIST | |
| Tboil | 482.06 | K | Relay (... Calculated Property |
| Tc | 701.23 | K | Relay (... Calculated Property |
| Tfus | 261.42 | K | Relay (... Calculated Property |
| Vc | 0.550 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Pyrazine, 2,5-dimethyl-3-(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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