- InChI
- InChI=1S/C12H20N2/c1-6-8(2)7-12-11(5)13-9(3)10(4)14-12/h8H,6-7H2,1-5H3
- InChI Key
- HBNTYRSZFUEIEX-UHFFFAOYSA-N
- Formula
- C12H20N2
- SMILES
- CCC(C)Cc1nc(C)c(C)nc1C
- Molecular Weight1
- 192.30
- CAS
- 18482-80-9
- Other Names
-
- 2-(2-methylbutyl)-3,5,6-trimethylpyrazine
- Pyrazine, 3,5,6-trimethyl-2-(2-methylbutyl)
- 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 | 0.5190 | Relay (... Calculated Property | |
| ΔfG° | 188.51 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -43.52 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 67.59 | kJ/mol | Relay (... Calculated Property |
| IE | 8.29 | eV | Relay (... Calculated Property |
| log10WS | -2.20 | Relay (... Calculated Property | |
| logPoct/wat | 2.990 | Crippen Calculated Property | |
| McVol | 176.140 | ml/mol | McGowan Calculated Property |
| Pc | 2263.35 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 1363.00 | NIST | |
| I | 1661.00 | NIST | |
| Tboil | 508.83 | K | Relay (... Calculated Property |
| Tc | 732.38 | K | Relay (... Calculated Property |
| Tfus | 273.24 | K | Relay (... Calculated Property |
| Vc | 0.650 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 2,3,5-Trimethyl-6-(2-methylbutyl)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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