- InChI
- InChI=1S/C7H8N2/c1-6(2)7-5-8-3-4-9-7/h3-5H,1H2,2H3
- InChI Key
- JMKUTMOIKCXELD-UHFFFAOYSA-N
- Formula
- C7H8N2
- SMILES
- C=C(C)c1cnccn1
- Molecular Weight1
- 120.15
- CAS
- 38713-41-6
- Other Names
-
- Isopropenylpyrazine
- 2-Isopropenylpyrazine
- (1-Methylethenyl)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 | 0.3770 | Relay (1.0) Calculated Property | |
| ΔfG° | 266.63 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 256.41 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 57.24 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.05 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.30 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.510 | Crippen Calculated Property | |
| McVol | 101.390 | ml/mol | McGowan Calculated Property |
| Pc | 4478.85 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1021.00; 1092.00] |
|
|
| Inp | 1075.00 | NIST | |
| Inp | 1042.00 | NIST | |
| Inp | 1028.00 | NIST | |
| Inp | 1092.00 | NIST | |
| Inp | 1021.00 | NIST | |
| Inp | 1083.00 | NIST | |
| Inp | 1045.00 | NIST | |
| Inp | 1092.00 | NIST | |
| Inp | 1021.00 | NIST | |
| I | 1543.00 | NIST | |
| Tboil | 452.37 | K | Relay (1.0) Calculated Property |
| Tc | 691.12 | K | Relay (1.0) Calculated Property |
| Tfus | 264.80 | K | Relay (1.0) Calculated Property |
| Vc | 0.373 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Pyrazine, (1-methylethenyl)-.
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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