- InChI
- InChI=1S/C8H12N2/c1-3-4-8-6-9-7(2)5-10-8/h5-6H,3-4H2,1-2H3
- InChI Key
- DAOYAWODBHNYDA-UHFFFAOYSA-N
- Formula
- C8H12N2
- SMILES
- CCCc1cnc(C)cn1
- Molecular Weight1
- 136.19
- CAS
- 29461-03-8
- Other Names
-
- 2-Methyl-5-propylpyrazine
- 5-Methyl-2-propylpyrazine
- 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 | 0.4429 | Relay (1.0) Calculated Property | |
| ΔfG° | 197.66 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 74.67 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 54.16 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.87 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.53 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.738 | Crippen Calculated Property | |
| McVol | 119.780 | ml/mol | McGowan Calculated Property |
| Pc | 3267.88 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1068.00; 1078.00] |
|
|
| Inp | 1070.00 | NIST | |
| Inp | 1068.00 | NIST | |
| Inp | 1078.00 | NIST | |
| Inp | 1078.00 | NIST | |
| I | [1458.00; 1464.00] |
|
|
| I | 1464.00 | NIST | |
| I | 1458.00 | NIST | |
| I | 1458.00 | NIST | |
| I | 1464.00 | NIST | |
| I | 1458.00 | NIST | |
| Tboil | 466.32 | K | Relay (1.0) Calculated Property |
| Tc | 680.56 | K | Relay (1.0) Calculated Property |
| Tfus | 234.92 | K | Relay (1.0) Calculated Property |
| Vc | 0.457 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Pyrazine, 2-methyl-5-propyl-.
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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