- InChI
- InChI=1S/C20H29N3/c1-4-6-11-17(12-7-5-2)19-20(22-16-15-21-19)23(3)18-13-9-8-10-14-18/h8-10,13-17H,4-7,11-12H2,1-3H3
- InChI Key
- IYQJHOAIKVGRDB-UHFFFAOYSA-N
- Formula
- C20H29N3
- SMILES
-
CCCCC(CCCC)c1nccnc1N(C)c1ccccc
1 - Molecular Weight1
- 311.46
- CAS
- 116660-10-7
- 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 | 0.7957 | Relay (1.0) Calculated Property | |
| ΔfG° | 442.07 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 98.94 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 98.80 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.54 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.15 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.708 | Crippen Calculated Property | |
| McVol | 275.080 | ml/mol | McGowan Calculated Property |
| Pc | 1690.37 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 653.22 | K | Relay (1.0) Calculated Property |
| Tc | 908.09 | K | Relay (1.0) Calculated Property |
| Tfus | 278.21 | K | Relay (1.0) Calculated Property |
| Vc | 1.000 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2-(N-methylanilino)-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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