- InChI
- InChI=1S/C6H8N2O/c1-5-3-7-4-6(9)8(5)2/h3-4H,1-2H3
- InChI Key
- MVOFQFRALBXVIA-UHFFFAOYSA-N
- Formula
- C6H8N2O
- SMILES
- Cc1cncc(=O)n1C
- Molecular Weight1
- 124.14
- 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 | 0.4560 | Relay (1.0) Calculated Property | |
| ΔfG° | 103.62 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -57.42 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 65.80 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.94 | eV | Relay (1.0) Calculated Property |
| log10WS | 1.17 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.089 | Crippen Calculated Property | |
| McVol | 97.470 | ml/mol | McGowan Calculated Property |
| Pc | 4816.82 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 1315.00 | NIST | |
| Tboil | 536.27 | K | Relay (1.0) Calculated Property |
| Tc | 741.26 | K | Relay (1.0) Calculated Property |
| Tfus | 394.30 | K | Relay (1.0) Calculated Property |
| Vc | 0.358 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
![Estra-1,3,5(10),6-tetraen-17-one, 3-[(trimethylsilyl)oxy]-.](data:image/png;base64,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)
Find more compounds similar to 1,6-dimethyl-2(1H)-pyrazinone.
Sources
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- Crippen Method
- Crippen Method
- McGowan Method
- NIST Webbook
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