- InChI
- InChI=1S/C20H28N2O/c1-3-4-5-6-7-8-9-10-18-11-13-19(14-12-18)23-20-17(2)21-15-16-22-20/h11-16H,3-10H2,1-2H3
- InChI Key
- MIFCXYCKDIHAKQ-UHFFFAOYSA-N
- Formula
- C20H28N2O
- SMILES
- CCCCCCCCCc1ccc(Oc2nccnc2C)cc1
- Molecular Weight1
- 312.45
- CAS
- 116660-49-2
- 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 | 0.8684 | Relay (... Calculated Property | |
| ΔfG° | 251.64 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -102.36 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 99.98 | kJ/mol | Relay (... Calculated Property |
| IE | 8.38 | eV | Relay (... Calculated Property |
| log10WS | -5.95 | Relay (... Calculated Property | |
| logPoct/wat | 5.870 | Crippen Calculated Property | |
| McVol | 270.970 | ml/mol | McGowan Calculated Property |
| Pc | 1814.30 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 648.02 | K | Relay (... Calculated Property |
| Tc | 891.47 | K | Relay (... Calculated Property |
| Tfus | 301.21 | K | Relay (... Calculated Property |
| Vc | 1.023 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 2-(P-nonylphenoxy)-3-methyl 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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