- InChI
- InChI=1S/C26H32N2O/c1-2-3-4-5-6-7-9-12-22-15-17-24(18-16-22)29-26-25(27-19-20-28-26)21-23-13-10-8-11-14-23/h8,10-11,13-20H,2-7,9,12,21H2,1H3
- InChI Key
- SZICRUMYIVYVSD-UHFFFAOYSA-N
- Formula
- C26H32N2O
- SMILES
-
CCCCCCCCCc1ccc(Oc2nccnc2Cc2ccc
cc2)cc1 - Molecular Weight1
- 388.55
- CAS
- 116660-03-8
- 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 | 0.9757 | Relay (1.0) Calculated Property | |
| ΔfG° | 377.70 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 29.48 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 126.07 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.28 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.11 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.153 | Crippen Calculated Property | |
| McVol | 331.750 | ml/mol | McGowan Calculated Property |
| Pc | 1419.31 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 717.62 | K | Relay (1.0) Calculated Property |
| Tc | 996.45 | K | Relay (1.0) Calculated Property |
| Tfus | 312.91 | K | Relay (1.0) Calculated Property |
| Vc | 1.236 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2-(P-nonylphenoxy)-3-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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