- InChI
- InChI=1S/C25H30N2O2/c1-3-5-11-20(12-6-4-2)24-25(27-18-17-26-24)29-23-16-10-15-22(19-23)28-21-13-8-7-9-14-21/h7-10,13-20H,3-6,11-12H2,1-2H3
- InChI Key
- KSKHJBNVZKHJIG-UHFFFAOYSA-N
- Formula
- C25H30N2O2
- SMILES
-
CCCCC(CCCC)c1nccnc1Oc1cccc(Oc2
ccccc2)c1 - Molecular Weight1
- 390.52
- CAS
- 5008-88-8
- 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 | 0.9388 | Relay (... Calculated Property | |
| ΔfG° | 261.23 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -93.90 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 119.35 | kJ/mol | Relay (... Calculated Property |
| IE | 7.92 | eV | Relay (... Calculated Property |
| log10WS | -7.15 | Relay (... Calculated Property | |
| logPoct/wat | 7.525 | Crippen Calculated Property | |
| McVol | 323.530 | ml/mol | McGowan Calculated Property |
| Pc | 1597.32 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 715.23 | K | Relay (... Calculated Property |
| Tc | 995.31 | K | Relay (... Calculated Property |
| Tfus | 300.23 | K | Relay (... Calculated Property |
| Vc | 1.174 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 2-(M-phenoxyphenoxy)-3-(5-nonyl) 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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