- InChI
- InChI=1S/C10H16N2/c1-5-7(2)10-6-11-8(3)9(4)12-10/h6-7H,5H2,1-4H3
- InChI Key
- ZTPIKPFNCVSISS-UHFFFAOYSA-N
- Formula
- C10H16N2
- SMILES
- CCC(C)c1cnc(C)c(C)n1
- Molecular Weight1
- 164.25
- CAS
- 32263-00-6
- Other Names
-
- Pyrazine, 5-sec-butyl-2,3-dimethyl-
- 2,3-Dimethyl-5-sec-butylpyrazine
- 5-sec-Butyl-2,3-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 | 0.4565 | Relay (1.0) Calculated Property | |
| ΔfG° | 196.96 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -6.51 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 60.88 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.65 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.21 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.607 | Crippen Calculated Property | |
| McVol | 147.960 | ml/mol | McGowan Calculated Property |
| Pc | 2810.88 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 1194.00 | NIST | |
| I | [1500.00; 1540.00] |
|
|
| I | 1540.00 | NIST | |
| I | 1500.00 | NIST | |
| I | 1500.00 | NIST | |
| Tboil | 487.83 | K | Relay (1.0) Calculated Property |
| Tc | 708.42 | K | Relay (1.0) Calculated Property |
| Tfus | 257.75 | K | Relay (1.0) Calculated Property |
| Vc | 0.545 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Pyrazine, 2,3-dimethyl-5-(1-methylpropyl)-.
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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