- InChI
- InChI=1S/C27H34N2O/c1-2-3-4-5-6-7-9-14-24-16-19-26(20-17-24)30-27-22-28-21-25(29-27)18-15-23-12-10-8-11-13-23/h8,10-13,16-17,19-22H,2-7,9,14-15,18H2,1H3
- InChI Key
- OCHCRLPYOHUGNA-UHFFFAOYSA-N
- Formula
- C27H34N2O
- SMILES
-
CCCCCCCCCc1ccc(Oc2cncc(CCc3ccc
cc3)n2)cc1 - Molecular Weight1
- 402.57
- CAS
- 116402-77-8
- 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 | 1.0319 | Relay (... Calculated Property | |
| ΔfG° | 381.81 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -11.59 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 135.86 | kJ/mol | Relay (... Calculated Property |
| IE | 8.38 | eV | Relay (... Calculated Property |
| log10WS | -7.89 | Relay (... Calculated Property | |
| logPoct/wat | 7.347 | Crippen Calculated Property | |
| McVol | 345.840 | ml/mol | McGowan Calculated Property |
| Pc | 1378.87 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 732.31 | K | Relay (... Calculated Property |
| Tc | 1003.50 | K | Relay (... Calculated Property |
| Tfus | 335.85 | K | Relay (... Calculated Property |
| Vc | 1.295 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 2-(P-nonylphenoxy)-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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