- InChI
- InChI=1S/C28H36N2O/c1-3-4-5-6-7-8-10-15-25-17-20-27(21-18-25)31-28-23(2)29-22-26(30-28)19-16-24-13-11-9-12-14-24/h9,11-14,17-18,20-22H,3-8,10,15-16,19H2,1-2H3
- InChI Key
- HIENIMGBZJFVKK-UHFFFAOYSA-N
- Formula
- C28H36N2O
- SMILES
-
CCCCCCCCCc1ccc(Oc2nc(CCc3ccccc
3)cnc2C)cc1 - Molecular Weight1
- 416.60
- 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 | 1.0469 | Relay (... Calculated Property | |
| ΔfG° | 375.88 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -40.42 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 134.95 | kJ/mol | Relay (... Calculated Property |
| IE | 8.14 | eV | Relay (... Calculated Property |
| log10WS | -7.70 | Relay (... Calculated Property | |
| logPoct/wat | 7.656 | Crippen Calculated Property | |
| McVol | 359.930 | ml/mol | McGowan Calculated Property |
| Pc | 1239.08 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 730.56 | K | Relay (... Calculated Property |
| Tc | 1004.05 | K | Relay (... Calculated Property |
| Tfus | 332.00 | K | Relay (... Calculated Property |
| Vc | 1.347 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 2-(P-nonylphenoxy)-3-methyl-6-(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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