- InChI
- InChI=1S/C7H10N2O/c1-5-4-8-6(2)7(9-5)10-3/h4H,1-3H3
- InChI Key
- QYRGVELVPYDICQ-UHFFFAOYSA-N
- Formula
- C7H10N2O
- SMILES
- COc1nc(C)cnc1C
- Molecular Weight1
- 138.17
- CAS
- 19846-22-1
- Other Names
-
- Pyrazine, 3-methoxy-2,5-dimethyl-
- 2,5-Dimethyl-3-methoxypyrazine
- 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 | 0.4485 | Relay (... Calculated Property | |
| ΔfG° | 111.86 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -69.96 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 52.77 | kJ/mol | Relay (... Calculated Property |
| IE | 8.50 | eV | Relay (... Calculated Property |
| log10WS | -0.42 | Relay (... Calculated Property | |
| logPoct/wat | 1.102 | Crippen Calculated Property | |
| McVol | 111.560 | ml/mol | McGowan Calculated Property |
| Pc | 3903.67 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [1054.00; 1065.00] |
|
|
| Inp | 1054.00 | NIST | |
| Inp | 1065.00 | NIST | |
| Inp | 1057.00 | NIST | |
| I | [1385.00; 1421.00] |
|
|
| I | 1419.00 | NIST | |
| I | 1385.00 | NIST | |
| I | 1421.00 | NIST | |
| Tboil | 458.46 | K | Relay (... Calculated Property |
| Tc | 685.03 | K | Relay (... Calculated Property |
| Tfus | 284.39 | K | Relay (... Calculated Property |
| Vc | 0.420 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 3-Methoxy-2,5-dimethylpyrazine.
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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