- InChI
- InChI=1S/C9H14N2/c1-3-4-5-9-8(2)10-6-7-11-9/h6-7H,3-5H2,1-2H3
- InChI Key
- IRSIKJPEFMMRHD-UHFFFAOYSA-N
- Formula
- C9H14N2
- SMILES
- CCCCc1nccnc1C
- Molecular Weight1
- 150.22
- CAS
- 15987-00-5
- Other Names
-
- 2-n-Butyl-3-methylpyrazine
- Pyrazine, 2-butyl-3-methyl-
- 2-Methyl-3- butylpyrazine
- 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 | 0.4627 | Relay (... Calculated Property | |
| ΔfG° | 209.14 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | 55.86 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 59.32 | kJ/mol | Relay (... Calculated Property |
| IE | 8.82 | eV | Relay (... Calculated Property |
| log10WS | -1.02 | Relay (... Calculated Property | |
| logPoct/wat | 2.128 | Crippen Calculated Property | |
| McVol | 133.870 | ml/mol | McGowan Calculated Property |
| Pc | 2982.36 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [1121.00; 1125.00] |
|
|
| Inp | 1125.00 | NIST | |
| Inp | 1121.00 | NIST | |
| I | [1459.00; 1459.00] |
|
|
| I | 1459.00 | NIST | |
| I | 1459.00 | NIST | |
| Tboil | 482.48 | K | Relay (... Calculated Property |
| Tc | 698.84 | K | Relay (... Calculated Property |
| Tfus | 230.39 | K | Relay (... Calculated Property |
| Vc | 0.503 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 2-Butyl-3-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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