- InChI
- InChI=1S/C27H34N2O/c1-2-3-4-5-6-7-9-14-24-15-18-25(19-16-24)30-27-26(28-21-22-29-27)20-17-23-12-10-8-11-13-23/h8,10-13,15-16,18-19,21-22H,2-7,9,14,17,20H2,1H3
- InChI Key
- DPIKCIFLVRQVPG-UHFFFAOYSA-N
- Formula
- C27H34N2O
- SMILES
-
CCCCCCCCCc1ccc(Oc2nccnc2CCc2cc
ccc2)cc1 - Molecular Weight1
- 402.57
- CAS
- 116402-94-9
- 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 | 1.0242 | Relay (... Calculated Property | |
| ΔfG° | 387.20 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | 4.77 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 132.59 | kJ/mol | Relay (... Calculated Property |
| IE | 8.33 | eV | Relay (... Calculated Property |
| log10WS | -7.51 | Relay (... Calculated Property | |
| logPoct/wat | 7.347 | Crippen Calculated Property | |
| McVol | 345.840 | ml/mol | McGowan Calculated Property |
| Pc | 1385.22 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 723.27 | K | Relay (... Calculated Property |
| Tc | 1001.16 | K | Relay (... Calculated Property |
| Tfus | 303.81 | K | Relay (... Calculated Property |
| Vc | 1.293 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 2-(P-nonylphenoxy)-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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