- InChI
- InChI=1S/C7H8N2O/c1-10-7(8)6-4-2-3-5-9-6/h2-5,8H,1H3/b8-7+
- InChI Key
- NEGQCMNHXHSFGU-UHFFFAOYSA-N
- Formula
- C7H8N2O
- SMILES
- COC(=N)c1ccccn1
- Molecular Weight1
- 136.15
- Other Names
-
- Methyl iminopicolinate
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔvapH° | 61.24 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.98 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.053 | Crippen Calculated Property | |
| McVol | 107.260 | ml/mol | McGowan Calculated Property |
| Inp | 1181.00 | NIST | |
| I | 1789.00 | NIST | |
| Tboil | 536.69 | K | Relay (1.0) Calculated Property |
| Tfus | 327.59 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 393.00 ± 2.00 | K | 3.70 | NIST |
Similar Compounds
Find more compounds similar to Methyl picolinimidate.
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
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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