- InChI
- InChI=1S/C17H15N3O/c1-13-17(19-11-10-18-13)20-14-6-5-9-16(12-14)21-15-7-3-2-4-8-15/h2-12H,1H3,(H,19,20)
- InChI Key
- MBEOHGZQIBJQOX-UHFFFAOYSA-N
- Formula
- C17H15N3O
- SMILES
- Cc1nccnc1Nc1cccc(Oc2ccccc2)c1
- Molecular Weight1
- 277.32
- CAS
- 116659-74-6
- 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 | 0.6701 | Relay (1.0) Calculated Property | |
| ΔfG° | 355.46 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 226.26 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 111.30 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.51 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.50 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.321 | Crippen Calculated Property | |
| McVol | 214.920 | ml/mol | McGowan Calculated Property |
| Pc | 5253.47 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 675.19 | K | Relay (1.0) Calculated Property |
| Tc | 1020.01 | K | Relay (1.0) Calculated Property |
| Tfus | 414.31 | K | Relay (1.0) Calculated Property |
| Vc | 0.776 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2-(M-phenoxyanilino)-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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