- InChI
- InChI=1S/C8H12N2/c1-6(2)8-7(3)9-4-5-10-8/h4-6H,1-3H3
- InChI Key
- LNSYLBDZKBWDNL-UHFFFAOYSA-N
- Formula
- C8H12N2
- SMILES
- Cc1nccnc1C(C)C
- Molecular Weight1
- 136.19
- CAS
- 15986-81-9
- Other Names
-
- 3-Isopropyl-2-methylpyrazine
- Pyrazine, 2-methyl-3-(1-methylethyl)
- Pyrazine, 2-methyl-3-isopropyl
- 2-Isopropyl-3-methylpyrazine
- 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 | 0.3879 | Relay (... Calculated Property | |
| ΔfG° | 203.46 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | 61.96 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 56.92 | kJ/mol | Relay (... Calculated Property |
| IE | 8.91 | eV | Relay (... Calculated Property |
| log10WS | -0.53 | Relay (... Calculated Property | |
| logPoct/wat | 1.908 | Crippen Calculated Property | |
| McVol | 119.780 | ml/mol | McGowan Calculated Property |
| Pc | 3322.60 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [1023.00; 1056.00] |
|
|
| Inp | 1023.00 | NIST | |
| Inp | 1025.00 | NIST | |
| Inp | 1056.00 | NIST | |
| Inp | 1028.00 | NIST | |
| I | [1362.00; 1387.00] |
|
|
| I | 1362.00 | NIST | |
| I | 1387.00 | NIST | |
| Tboil | 453.54 | K | Relay (... Calculated Property |
| Tc | 670.39 | K | Relay (... Calculated Property |
| Tfus | 253.09 | K | Relay (... Calculated Property |
| Vc | 0.442 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 2-Methyl-3-isopropylpyrazine.
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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