- InChI
- InChI=1S/C23H18N2O/c1-4-10-18(11-5-1)21(19-12-6-2-7-13-19)22-23(25-17-16-24-22)26-20-14-8-3-9-15-20/h1-17,21H
- InChI Key
- XLFMCYIPOLJGFG-UHFFFAOYSA-N
- Formula
- C23H18N2O
- SMILES
-
c1ccc(Oc2nccnc2C(c2ccccc2)c2cc
ccc2)cc1 - Molecular Weight1
- 338.40
- CAS
- 116660-30-1
- 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 | 0.6289 | Relay (... Calculated Property | |
| ΔfG° | 464.25 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | 353.91 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 113.88 | kJ/mol | Relay (... Calculated Property |
| IE | 8.12 | eV | Relay (... Calculated Property |
| log10WS | -5.74 | Relay (... Calculated Property | |
| logPoct/wat | 5.449 | Crippen Calculated Property | |
| McVol | 265.720 | ml/mol | McGowan Calculated Property |
| Pc | 3092.18 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 697.59 | K | Relay (... Calculated Property |
| Tc | 1070.36 | K | Relay (... Calculated Property |
| Tfus | 398.20 | K | Relay (... Calculated Property |
| Vc | 0.951 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 2-Phenoxy-3-benzhydryl 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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