- InChI
- InChI=1S/C17H14N2O/c1-13-17(19-12-11-18-13)20-16-10-6-5-9-15(16)14-7-3-2-4-8-14/h2-12H,1H3
- InChI Key
- USLZXOBENXPOCF-UHFFFAOYSA-N
- Formula
- C17H14N2O
- SMILES
- Cc1nccnc1Oc1ccccc1-c1ccccc1
- Molecular Weight1
- 262.31
- CAS
- 93323-45-6
- 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).
- 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 | 0.5818 | Relay (1.0) Calculated Property | |
| ΔfG° | 336.29 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 211.29 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 100.55 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.06 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.91 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.244 | Crippen Calculated Property | |
| McVol | 204.940 | ml/mol | McGowan Calculated Property |
| Pc | 3590.53 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 637.54 | K | Relay (1.0) Calculated Property |
| Tc | 955.03 | K | Relay (1.0) Calculated Property |
| Tfus | 344.64 | K | Relay (1.0) Calculated Property |
| Vc | 0.755 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2-(O-phenylphenoxy)-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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