- InChI
- InChI=1S/C11H10N2O/c1-9-11(13-8-7-12-9)14-10-5-3-2-4-6-10/h2-8H,1H3
- InChI Key
- ACDOXXMFLCWEPV-UHFFFAOYSA-N
- Formula
- C11H10N2O
- SMILES
- Cc1nccnc1Oc1ccccc1
- Molecular Weight1
- 186.21
- CAS
- 91137-78-9
- Other Names
-
- 2-methyl-3-phenoxypyrazine
- Pyrazine, 2-methyl-3-(phenyloxy)
- Pyrazine, 3-methyl-2-phenoxy
- Pyrazine, 2-methyl-3-phenoxy
- 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 | 0.4913 | Relay (1.0) Calculated Property | |
| ΔfG° | 211.82 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 108.29 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 68.14 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.36 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.12 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.577 | Crippen Calculated Property | |
| McVol | 144.160 | ml/mol | McGowan Calculated Property |
| Pc | 4564.85 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1465.00; 1465.00] |
|
|
| Inp | 1465.00 | NIST | |
| Inp | 1465.00 | NIST | |
| Inp | 1465.00 | NIST | |
| I | [2103.00; 2103.00] |
|
|
| I | 2103.00 | NIST | |
| I | 2103.00 | NIST | |
| I | 2103.00 | NIST | |
| Tboil | 543.08 | K | Relay (1.0) Calculated Property |
| Tc | 826.45 | K | Relay (1.0) Calculated Property |
| Tfus | 312.02 | K | Relay (1.0) Calculated Property |
| Vc | 0.538 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2-Phenoxy-3-methyl 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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