- InChI
- InChI=1S/C10H16N2O/c1-7(2)5-9-10(13-4)12-8(3)6-11-9/h6-7H,5H2,1-4H3
- InChI Key
- LWQIXPCLHBYZGC-UHFFFAOYSA-N
- Formula
- C10H16N2O
- SMILES
- COc1nc(C)cnc1CC(C)C
- Molecular Weight1
- 180.25
- 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 | 0.5288 | Relay (... Calculated Property | |
| ΔfG° | 117.66 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -139.40 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 60.51 | kJ/mol | Relay (... Calculated Property |
| IE | 8.31 | eV | Relay (... Calculated Property |
| log10WS | -1.75 | Relay (... Calculated Property | |
| logPoct/wat | 1.992 | Crippen Calculated Property | |
| McVol | 153.830 | ml/mol | McGowan Calculated Property |
| Pc | 2514.58 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [1239.00; 1239.00] |
|
|
| Inp | 1239.00 | NIST | |
| Inp | 1239.00 | NIST | |
| Tboil | 490.66 | K | Relay (... Calculated Property |
| Tc | 717.29 | K | Relay (... Calculated Property |
| Tfus | 258.91 | K | Relay (... Calculated Property |
| Vc | 0.572 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 3-Isobutyl-2-methoxy-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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