- InChI
- InChI=1S/C8H12N2/c1-6(2)8-5-9-7(3)4-10-8/h4-6H,1-3H3
- InChI Key
- PGTQKVQDZHXLOP-UHFFFAOYSA-N
- Formula
- C8H12N2
- SMILES
- Cc1cnc(C(C)C)cn1
- Molecular Weight1
- 136.19
- CAS
- 13925-05-8
- Other Names
-
- Pyrazine, 2-isopropyl-5-methyl-
- 2-Methyl-5-isopropylpyrazine
- 5-Isopropyl-2-methylpyrazine
- 2-Isopropyl-5-methylpyrazine
- 2-Methyl-5-(1-methylethyl)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 | 0.4001 | Relay (1.0) Calculated Property | |
| ΔfG° | 196.37 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 57.69 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 55.49 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.94 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.65 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.908 | Crippen Calculated Property | |
| McVol | 119.780 | ml/mol | McGowan Calculated Property |
| Pc | 3295.99 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1028.00; 1059.00] |
|
|
| Inp | 1059.00 | NIST | |
| Inp | 1028.00 | NIST | |
| Inp | 1029.00 | NIST | |
| Inp | 1031.00 | NIST | |
| Inp | 1044.00 | NIST | |
| I | [1396.00; 1415.00] |
|
|
| I | 1400.00 | NIST | |
| I | 1415.00 | NIST | |
| I | 1409.00 | NIST | |
| I | 1403.00 | NIST | |
| I | 1396.00 | NIST | |
| Tboil | 458.84 | K | Relay (1.0) Calculated Property |
| Tc | 669.64 | K | Relay (1.0) Calculated Property |
| Tfus | 260.95 | K | Relay (1.0) Calculated Property |
| Vc | 0.449 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Pyrazine, 2-methyl-5-(1-methylethyl)-.
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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