- InChI
- InChI=1S/C17H23N3/c1-3-4-5-9-12-16-17(19-14-13-18-16)20(2)15-10-7-6-8-11-15/h6-8,10-11,13-14H,3-5,9,12H2,1-2H3
- InChI Key
- DIPCNSVVYPMWDR-UHFFFAOYSA-N
- Formula
- C17H23N3
- SMILES
- CCCCCCc1nccnc1N(C)c1ccccc1
- Molecular Weight1
- 269.38
- 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 | 0.7426 | Relay (1.0) Calculated Property | |
| ΔfG° | 426.22 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 165.33 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 93.74 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.67 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.25 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.367 | Crippen Calculated Property | |
| McVol | 232.810 | ml/mol | McGowan Calculated Property |
| Pc | 2102.84 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 635.73 | K | Relay (1.0) Calculated Property |
| Tc | 890.88 | K | Relay (1.0) Calculated Property |
| Tfus | 287.10 | K | Relay (1.0) Calculated Property |
| Vc | 0.866 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2-(N-methylanilino)-3-(n-hexyl) 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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