- InChI
- InChI=1S/C9H12N2/c1-4-5-9-6-10-7(2)8(3)11-9/h4-6H,1-3H3/b5-4+
- InChI Key
- BNYRAFHQRSHWGQ-SNAWJCMRSA-N
- Formula
- C9H12N2
- SMILES
- CC=Cc1cnc(C)c(C)n1
- Molecular Weight1
- 148.21
- CAS
- 55138-72-2
- Other Names
-
- 2,3-Dimethyl-5-(Z-1-propenyl)-pyrazine
- 2,3-Dimethyl-5-[(1Z)-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 | 0.4015 | Relay (... Calculated Property | |
| ΔfG° | 240.98 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | 155.41 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 63.72 | kJ/mol | Relay (... Calculated Property |
| IE | 8.43 | eV | Relay (... Calculated Property |
| log10WS | -1.10 | Relay (... Calculated Property | |
| logPoct/wat | 2.127 | Crippen Calculated Property | |
| McVol | 129.570 | ml/mol | McGowan Calculated Property |
| Pc | 3647.72 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 1247.00 | NIST | |
| I | 1702.00 | NIST | |
| Tboil | 487.68 | K | Relay (... Calculated Property |
| Tc | 714.12 | K | Relay (... Calculated Property |
| Tfus | 298.93 | K | Relay (... Calculated Property |
| Vc | 0.468 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Pyrazine, 2,3-dimethyl-5-(1-propenyl)-, (Z)-.
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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