- InChI
- InChI=1S/C12H20N2S/c1-5-6-9(2)7-11-8-13-12(15-4)10(3)14-11/h8-9H,5-7H2,1-4H3
- InChI Key
- LJKPXYGPGYYPSW-UHFFFAOYSA-N
- Formula
- C12H20N2S
- SMILES
- CCCC(C)Cc1cnc(SC)c(C)n1
- Molecular Weight1
- 224.37
- Other Names
-
- Pyrazine, 3-methyl-5-(2-methylpentyl)-2-(methylthio)
- 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 | 0.5394 | Relay (... Calculated Property | |
| ΔfG° | 213.17 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -9.09 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 77.03 | kJ/mol | Relay (... Calculated Property |
| IE | 8.12 | eV | Relay (... Calculated Property |
| log10WS | -3.18 | Relay (... Calculated Property | |
| logPoct/wat | 3.486 | Crippen Calculated Property | |
| McVol | 192.490 | ml/mol | McGowan Calculated Property |
| Pc | 2289.88 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [1638.00; 1638.00] |
|
|
| Inp | 1638.00 | NIST | |
| Inp | 1638.00 | NIST | |
| I | 2008.00 | NIST | |
| Tboil | 555.89 | K | Relay (... Calculated Property |
| Tc | 773.77 | K | Relay (... Calculated Property |
| Tfus | 255.99 | K | Relay (... Calculated Property |
| Vc | 0.684 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 3-methyl-5-(2-methylpentyl)-2-(methylthio)pyrazine.
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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