- InChI
- InChI=1S/C22H24N2O/c1-22(2,3)18-10-12-19(13-11-18)25-21-20(23-15-16-24-21)14-9-17-7-5-4-6-8-17/h4-8,10-13,15-16H,9,14H2,1-3H3
- InChI Key
- QNYYJZCDAPBEPI-UHFFFAOYSA-N
- Formula
- C22H24N2O
- SMILES
-
CC(C)(C)c1ccc(Oc2nccnc2CCc2ccc
cc2)cc1 - Molecular Weight1
- 332.44
- CAS
- 116295-59-1
- 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 | 0.7202 | Relay (... Calculated Property | |
| ΔfG° | 352.08 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | 109.74 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 109.26 | kJ/mol | Relay (... Calculated Property |
| IE | 8.17 | eV | Relay (... Calculated Property |
| log10WS | -5.92 | Relay (... Calculated Property | |
| logPoct/wat | 5.352 | Crippen Calculated Property | |
| McVol | 275.390 | ml/mol | McGowan Calculated Property |
| Pc | 1865.55 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 673.14 | K | Relay (... Calculated Property |
| Tc | 984.01 | K | Relay (... Calculated Property |
| Tfus | 328.30 | K | Relay (... Calculated Property |
| Vc | 1.015 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 2-(P-t-butylphenoxy)-3-(2-phenylethyl) 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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