- InChI
- InChI=1S/C16H12N2O/c1-2-4-13(5-3-1)14-6-8-15(9-7-14)19-16-12-17-10-11-18-16/h1-12H
- InChI Key
- KKRSBOPXAHQCPR-UHFFFAOYSA-N
- Formula
- C16H12N2O
- SMILES
- c1ccc(-c2ccc(Oc3cnccn3)cc2)cc1
- Molecular Weight1
- 248.28
- CAS
- 116659-50-8
- 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 | 0.5787 | Relay (1.0) Calculated Property | |
| ΔfG° | 337.64 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 247.73 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 98.92 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.21 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.45 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.936 | Crippen Calculated Property | |
| McVol | 190.850 | ml/mol | McGowan Calculated Property |
| Pc | 3994.55 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 654.20 | K | Relay (1.0) Calculated Property |
| Tc | 958.34 | K | Relay (1.0) Calculated Property |
| Tfus | 408.86 | K | Relay (1.0) Calculated Property |
| Vc | 0.708 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2-(P-phenylphenoxy) 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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