- InChI
- InChI=1S/C23H18N2O2/c1-3-7-19(8-4-1)26-21-13-11-18(12-14-21)17-22-23(25-16-15-24-22)27-20-9-5-2-6-10-20/h1-16H,17H2
- InChI Key
- DLXATDXPFDTLJF-UHFFFAOYSA-N
- Formula
- C23H18N2O2
- SMILES
-
c1ccc(Oc2ccc(Cc3nccnc3Oc3ccccc
3)cc2)cc1 - Molecular Weight1
- 354.40
- CAS
- 116659-45-1
- 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 | 0.7631 | Relay (1.0) Calculated Property | |
| ΔfG° | 346.23 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 229.99 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 126.60 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.99 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.65 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.652 | Crippen Calculated Property | |
| McVol | 271.590 | ml/mol | McGowan Calculated Property |
| Pc | 2947.00 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 727.27 | K | Relay (1.0) Calculated Property |
| Tc | 1074.22 | K | Relay (1.0) Calculated Property |
| Tfus | 369.73 | K | Relay (1.0) Calculated Property |
| Vc | 0.998 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2-Phenoxy-3-(p-phenoxy benzyl) 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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