- InChI
- InChI=1S/C10H16N2/c1-8(2)4-5-10-7-11-6-9(3)12-10/h6-8H,4-5H2,1-3H3
- InChI Key
- OESNKUIGZMJYKH-UHFFFAOYSA-N
- Formula
- C10H16N2
- SMILES
- Cc1cncc(CCC(C)C)n1
- Molecular Weight1
- 164.25
- CAS
- 91010-41-2
- Other Names
-
- 2-Methyl-6-isopentylpyrazine
- 6-Methyl-2-(3-methylbutyl)-pyrazine
- Pyrazine, 2-methyl-6-(3-methylbutyl)-
- 2-Isopentyl-6-methylpyrazine
- 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.
- 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 | 0.4762 | Relay (1.0) Calculated Property | |
| ΔfG° | 198.42 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 32.01 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 61.56 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.03 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.36 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.374 | Crippen Calculated Property | |
| McVol | 147.960 | ml/mol | McGowan Calculated Property |
| Pc | 2701.44 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1231.00; 1257.00] |
|
|
| Inp | 1248.00 | NIST | |
| Inp | 1231.00 | NIST | |
| Inp | 1242.00 | NIST | |
| Inp | 1257.00 | NIST | |
| Inp | 1249.00 | NIST | |
| Inp | 1249.00 | NIST | |
| Tboil | 492.82 | K | Relay (1.0) Calculated Property |
| Tc | 716.80 | K | Relay (1.0) Calculated Property |
| Tfus | 246.81 | K | Relay (1.0) Calculated Property |
| Vc | 0.549 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2-Isoamyl-6-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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