- InChI
- InChI=1S/C8H10N2/c1-3-4-8-6-9-7(2)5-10-8/h3-6H,1-2H3/b4-3+
- InChI Key
- KFZIJPOISUVMAW-ONEGZZNKSA-N
- Formula
- C8H10N2
- SMILES
- CC=Cc1cnc(C)cn1
- Molecular Weight1
- 134.18
- CAS
- 18217-82-8
- Other Names
-
- Pyrazine, 2-methyl-5-propenyl-, (E)-
- 2-Methyl-5-[(1E)-1-propenyl]pyrazine
- 2-Methyl-5-(1-propenyl) pyrazine, trans
- 2-methyl-5-((E)-1-propenyl)-pyrazine
- (E)-5-methyl-2-(1-propenyl) 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 | 0.3777 | Relay (1.0) Calculated Property | |
| ΔfG° | 249.79 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 190.64 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 60.44 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.61 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.91 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.818 | Crippen Calculated Property | |
| McVol | 115.480 | ml/mol | McGowan Calculated Property |
| Pc | 4156.41 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1133.00; 1133.00] |
|
|
| Inp | 1133.00 | NIST | |
| Inp | 1133.00 | NIST | |
| I | [1635.00; 1635.00] |
|
|
| I | 1635.00 | NIST | |
| I | 1635.00 | NIST | |
| Tboil | 478.30 | K | Relay (1.0) Calculated Property |
| Tc | 700.18 | K | Relay (1.0) Calculated Property |
| Tfus | 285.80 | K | Relay (1.0) Calculated Property |
| Vc | 0.419 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Pyrazine, 2-methyl-5-(1-propenyl)-, (E)-.
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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