- InChI
- InChI=1S/C15H18N2O/c1-11(2)9-13-10-16-15(12(3)17-13)18-14-7-5-4-6-8-14/h4-8,10-11H,9H2,1-3H3
- InChI Key
- VQFWHEXRDILCNY-UHFFFAOYSA-N
- Formula
- C15H18N2O
- SMILES
- Cc1nc(CC(C)C)cnc1Oc1ccccc1
- Molecular Weight1
- 242.32
- Other Names
-
- 5-isobutyl-3-methyl-2-phenoxypyrazine
- 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 | 0.6161 | Relay (... Calculated Property | |
| ΔfG° | 201.13 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -8.18 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 76.03 | kJ/mol | Relay (... Calculated Property |
| IE | 8.19 | eV | Relay (... Calculated Property |
| log10WS | -3.59 | Relay (... Calculated Property | |
| logPoct/wat | 3.776 | Crippen Calculated Property | |
| McVol | 200.520 | ml/mol | McGowan Calculated Property |
| Pc | 2533.46 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [1706.00; 1706.00] |
|
|
| Inp | 1706.00 | NIST | |
| Inp | 1706.00 | NIST | |
| I | [2209.00; 2209.00] |
|
|
| I | 2209.00 | NIST | |
| I | 2209.00 | NIST | |
| Tboil | 577.49 | K | Relay (... Calculated Property |
| Tc | 845.14 | K | Relay (... Calculated Property |
| Tfus | 328.61 | K | Relay (... Calculated Property |
| Vc | 0.740 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Pyrazine, 3-methyl-5-(2-methylpropyl)-2-phenoxy.
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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