- InChI
- InChI=1S/C10H15ClN2/c1-4-7(2)5-9-6-12-10(11)8(3)13-9/h6-7H,4-5H2,1-3H3
- InChI Key
- ZAWXZNXSZNHJGO-UHFFFAOYSA-N
- Formula
- C10H15ClN2
- SMILES
- CCC(C)Cc1cnc(Cl)c(C)n1
- Molecular Weight1
- 198.69
- Other Names
-
- 2-chloro-3-methyl-5-(2-methylbutyl)pyrazine
- 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 | 0.4859 | Relay (1.0) Calculated Property | |
| ΔfG° | 188.46 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -38.80 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 61.46 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.97 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.49 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.027 | Crippen Calculated Property | |
| McVol | 160.200 | ml/mol | McGowan Calculated Property |
| Pc | 2674.89 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1371.00; 1371.00] |
|
|
| Inp | 1371.00 | NIST | |
| Inp | 1371.00 | NIST | |
| I | [1710.00; 1710.00] |
|
|
| I | 1710.00 | NIST | |
| I | 1710.00 | NIST | |
| Tboil | 515.55 | K | Relay (1.0) Calculated Property |
| Tc | 750.83 | K | Relay (1.0) Calculated Property |
| Tfus | 283.51 | K | Relay (1.0) Calculated Property |
| Vc | 0.580 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Pyrazine, 2-chloro-3-methyl-5-(2-methylbutyl).
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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