- InChI
- InChI=1S/C18H32N2/c1-5-7-8-9-10-11-12-18-16(4)19-14-17(20-18)13-15(3)6-2/h14-15H,5-13H2,1-4H3
- InChI Key
- MFZVESAUFHTENP-UHFFFAOYSA-N
- Formula
- C18H32N2
- SMILES
- CCCCCCCCc1nc(CC(C)CC)cnc1C
- Molecular Weight1
- 276.46
- Other Names
-
- Pyrazine, 2-methyl-5-(2-methylbutyl)-3-octyl
- 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).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- 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 | 0.7724 | Relay (... Calculated Property | |
| ΔfG° | 232.16 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -172.08 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 88.52 | kJ/mol | Relay (... Calculated Property |
| IE | 8.63 | eV | Relay (... Calculated Property |
| log10WS | -4.79 | Relay (... Calculated Property | |
| logPoct/wat | 5.277 | Crippen Calculated Property | |
| McVol | 260.680 | ml/mol | McGowan Calculated Property |
| Pc | 1508.97 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [1923.00; 1923.00] |
|
|
| Inp | 1923.00 | NIST | |
| Inp | 1923.00 | NIST | |
| I | [2200.00; 2200.00] |
|
|
| I | 2200.00 | NIST | |
| I | 2200.00 | NIST | |
| Tboil | 592.48 | K | Relay (... Calculated Property |
| Tc | 803.78 | K | Relay (... Calculated Property |
| Tfus | 277.27 | K | Relay (... Calculated Property |
| Vc | 0.983 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 2-methyl-5-(2-methylbutyl)-3-octylpyrazine.
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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