- InChI
- InChI=1S/C8H12N2/c1-3-4-8-7(2)9-5-6-10-8/h5-6H,3-4H2,1-2H3
- InChI Key
- XAWKNALRUSOTOY-UHFFFAOYSA-N
- Formula
- C8H12N2
- SMILES
- CCCc1nccnc1C
- Molecular Weight1
- 136.19
- CAS
- 15986-80-8
- Other Names
-
- 3-Propyl-2-methyl pyrazine
- 2-Methyl-3-n-propylpyrazine
- 2-Propyl-3-methylpyrazine
- Pyrazine, 2-methyl-3-propyl-
- 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 | 0.4245 | Relay (1.0) Calculated Property | |
| ΔfG° | 202.29 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 79.29 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 55.90 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.83 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.40 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.738 | Crippen Calculated Property | |
| McVol | 119.780 | ml/mol | McGowan Calculated Property |
| Pc | 3307.52 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1065.00; 1094.00] |
|
|
| Inp | 1065.00 | NIST | |
| Inp | 1065.00 | NIST | |
| Inp | 1094.00 | NIST | |
| Inp | 1072.00 | NIST | |
| Inp | 1072.00 | NIST | |
| Inp | 1088.00 | NIST | |
| Inp | 1074.00 | NIST | |
| Inp | 1065.00 | NIST | |
| Inp | 1088.00 | NIST | |
| I | [1438.00; 1489.00] |
|
|
| I | 1461.00 | NIST | |
| I | 1479.00 | NIST | |
| I | 1478.00 | NIST | |
| I | 1489.00 | NIST | |
| I | 1438.00 | NIST | |
| I | 1462.00 | NIST | |
| I | 1438.00 | NIST | |
| I | 1461.00 | NIST | |
| Tboil | 462.67 | K | Relay (1.0) Calculated Property |
| Tc | 681.21 | K | Relay (1.0) Calculated Property |
| Tfus | 234.54 | K | Relay (1.0) Calculated Property |
| Vc | 0.447 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2-Methyl-3-propylpyrazine.
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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