- InChI
- InChI=1S/C6H8N2O2/c1-5-3-8(9)4-6(7-5)10-2/h3-4H,1-2H3
- InChI Key
- JPKZYYICYSAJPM-UHFFFAOYSA-N
- Formula
- C6H8N2O2
- SMILES
- COc1c[n+]([O-])cc(C)n1
- Molecular Weight1
- 140.14
- 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 | 0.4534 | Relay (1.0) Calculated Property | |
| ΔfG° | 137.93 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -25.47 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 64.69 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.07 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.09 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.032 | Crippen Calculated Property | |
| McVol | 103.340 | ml/mol | McGowan Calculated Property |
| Pc | 4307.05 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1375.00; 1375.00] |
|
|
| Inp | 1375.00 | NIST | |
| Inp | 1375.00 | NIST | |
| Tboil | 495.36 | K | Relay (1.0) Calculated Property |
| Tc | 703.23 | K | Relay (1.0) Calculated Property |
| Tfus | 419.86 | K | Relay (1.0) Calculated Property |
| Vc | 0.366 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 3-Methoxy-5-methylpyrazine 1-Oxide.
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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