- InChI
- InChI=1S/C10H16N2/c1-4-5-6-10-9(3)12-8(2)7-11-10/h7H,4-6H2,1-3H3
- InChI Key
- CSGGOEBNSRAFPU-UHFFFAOYSA-N
- Formula
- C10H16N2
- SMILES
- CCCCc1ncc(C)nc1C
- Molecular Weight1
- 164.25
- CAS
- 50888-63-6
- Other Names
-
- 3,5-Dimethyl-2-butylpyrazine
- 3-Butyl-2,6-dimethylpyrazine
- 2-butyl-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).
- 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 | 0.5033 | Relay (... Calculated Property | |
| ΔfG° | 197.56 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | 18.15 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 61.29 | kJ/mol | Relay (... Calculated Property |
| IE | 8.54 | eV | Relay (... Calculated Property |
| log10WS | -1.39 | Relay (... Calculated Property | |
| logPoct/wat | 2.436 | Crippen Calculated Property | |
| McVol | 147.960 | ml/mol | McGowan Calculated Property |
| Pc | 2700.91 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [1196.00; 1254.00] |
|
|
| Inp | 1196.00 | NIST | |
| Inp | 1254.00 | NIST | |
| Inp | 1196.00 | NIST | |
| Inp | 1254.00 | NIST | |
| I | [1583.00; 1583.00] |
|
|
| I | 1583.00 | NIST | |
| I | 1583.00 | NIST | |
| I | 1583.00 | NIST | |
| Tboil | 494.56 | K | Relay (... Calculated Property |
| Tc | 709.07 | K | Relay (... Calculated Property |
| Tfus | 251.97 | K | Relay (... Calculated Property |
| Vc | 0.560 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Pyrazine, 2-butyl-3,5-dimethyl-.
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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