- InChI
- InChI=1S/C18H16N2O/c1-3-7-15(8-4-1)11-12-17-18(20-14-13-19-17)21-16-9-5-2-6-10-16/h1-10,13-14H,11-12H2
- InChI Key
- DFYRUZZLUBPDNB-UHFFFAOYSA-N
- Formula
- C18H16N2O
- SMILES
- c1ccc(CCc2nccnc2Oc2ccccc2)cc1
- Molecular Weight1
- 276.33
- CAS
- 116659-83-7
- 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 | 0.6477 | Relay (1.0) Calculated Property | |
| ΔfG° | 352.65 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 231.03 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 101.07 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.31 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.22 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.054 | Crippen Calculated Property | |
| McVol | 219.030 | ml/mol | McGowan Calculated Property |
| Pc | 3086.16 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 646.50 | K | Relay (1.0) Calculated Property |
| Tc | 960.28 | K | Relay (1.0) Calculated Property |
| Tfus | 317.03 | K | Relay (1.0) Calculated Property |
| Vc | 0.812 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2-Phenoxy-3-(2-phenyl ethyl) 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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