- InChI
- InChI=1S/C11H18N2/c1-8(2)5-6-11-10(4)12-7-9(3)13-11/h7-8H,5-6H2,1-4H3
- InChI Key
- WWAYKGYKYHEINT-UHFFFAOYSA-N
- Formula
- C11H18N2
- SMILES
- Cc1cnc(C)c(CCC(C)C)n1
- Molecular Weight1
- 178.27
- CAS
- 18433-98-2
- Other Names
-
- Pyrazine, 3-isopentyl-2,5-dimethyl-
- 2,5-Dimethyl-3-isoamylpyrazine
- 2,5-Dimethyl-3-isopentylpyrazine
- 3-Isoamyl-2,5-dimethylpyrazine
- 3-Isopentyl-2,5-dimethyl-pyrazine
- 2-(3-Methylbutyl)-3,6-dimethylpyrazine
- 2,5-Dimethyl-3(3'-methylbutyl)pyrazine
- 2,5-dimethyl-3-(3-methylbutyl)pyrazine
- 2-isopentyl-3,6-dimethylpyrazine
- 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 | 0.5004 | Relay (... Calculated Property | |
| ΔfG° | 191.25 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -7.01 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 64.82 | kJ/mol | Relay (... Calculated Property |
| IE | 8.65 | eV | Relay (... Calculated Property |
| log10WS | -1.67 | Relay (... Calculated Property | |
| logPoct/wat | 2.682 | Crippen Calculated Property | |
| McVol | 162.050 | ml/mol | McGowan Calculated Property |
| Pc | 2417.47 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [1289.00; 1323.00] |
|
|
| Inp | 1321.00 | NIST | |
| Inp | 1308.00 | NIST | |
| Inp | 1308.00 | NIST | |
| Inp | 1319.00 | NIST | |
| Inp | 1295.00 | NIST | |
| Inp | 1296.00 | NIST | |
| Inp | 1310.00 | NIST | |
| Inp | 1323.00 | NIST | |
| Inp | 1321.00 | NIST | |
| Inp | 1308.00 | NIST | |
| Inp | 1296.00 | NIST | |
| Inp | 1289.00 | NIST | |
| Inp | 1321.00 | NIST | |
| Inp | 1296.00 | NIST | |
| Inp | 1310.00 | NIST | |
| I | [1666.00; 1666.00] |
|
|
| I | 1666.00 | NIST | |
| I | 1666.00 | NIST | |
| I | 1666.00 | NIST | |
| Tboil | 504.65 | K | Relay (... Calculated Property |
| Tc | 717.34 | K | Relay (... Calculated Property |
| Tfus | 256.34 | K | Relay (... Calculated Property |
| Vc | 0.602 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Pyrazine, 2,5-dimethyl-3-(3-methylbutyl)-.
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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