- InChI
- InChI=1S/C11H18N2/c1-8(2)5-6-11-10(4)13-9(3)7-12-11/h7-8H,5-6H2,1-4H3
- InChI Key
- ZVLSVDOZUWIUIJ-UHFFFAOYSA-N
- Formula
- C11H18N2
- SMILES
- Cc1cnc(CCC(C)C)c(C)n1
- Molecular Weight1
- 178.27
- CAS
- 111150-30-2
- Other Names
-
- 2,6-Dimethyl-3-isopentylpyrazine
- 2-Isopentyl-3,5-dimethylpyrazine
- 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).
- 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 | 0.5002 | Relay (1.0) Calculated Property | |
| ΔfG° | 191.86 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -5.54 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 64.80 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.60 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.78 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.682 | Crippen Calculated Property | |
| McVol | 162.050 | ml/mol | McGowan Calculated Property |
| Pc | 2430.87 | kPa | Relay (1.0-beta) Calculated Property |
| I | [1530.00; 1530.00] |
|
|
| I | 1530.00 | NIST | |
| I | 1530.00 | NIST | |
| I | 1530.00 | NIST | |
| Tboil | 504.79 | K | Relay (1.0) Calculated Property |
| Tc | 719.33 | K | Relay (1.0) Calculated Property |
| Tfus | 249.48 | K | Relay (1.0) Calculated Property |
| Vc | 0.603 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2-(3-Methylbutyl)-3,5-dimethylpyrazine.
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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