- InChI
- InChI=1S/C9H12N2/c1-4-5-9-8(3)10-6-7(2)11-9/h4-6H,1-3H3/b5-4+
- InChI Key
- UPGLIDCBHZSEJE-SNAWJCMRSA-N
- Formula
- C9H12N2
- SMILES
- CC=Cc1nc(C)cnc1C
- Molecular Weight1
- 148.21
- 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.
- 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 | 0.4031 | Relay (... Calculated Property | |
| ΔfG° | 238.65 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | 148.03 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 62.37 | kJ/mol | Relay (... Calculated Property |
| IE | 8.48 | 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 | 3619.89 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 1243.00 | NIST | |
| Tboil | 486.19 | K | Relay (... Calculated Property |
| Tc | 710.67 | K | Relay (... Calculated Property |
| Tfus | 304.32 | K | Relay (... Calculated Property |
| Vc | 0.470 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 2,5-dimethyl-3-propenylpyrazine.
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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