- InChI
- InChI=1S/C6H6N2O2/c1-10-6(9)5-4-7-2-3-8-5/h2-4H,1H3
- InChI Key
- TWIIRMSFZNYMQE-UHFFFAOYSA-N
- Formula
- C6H6N2O2
- SMILES
- COC(=O)c1cnccn1
- Molecular Weight1
- 138.12
- CAS
- 6164-79-0
- Other Names
-
- Methyl pyrazinoate
- Pyrazinecarboxylic acid, methyl ester
- Methyl pyrazinecarboxylate
- Methyl 2-pyrazinecarboxylate
- Pyrazine-2-carboxylic acid, methyl ester
- Pyrazinoic acid methyl ester
- 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).
- 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 | 0.4772 | Relay (1.0) Calculated Property | |
| ΔfG° | -38.96 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -148.39 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 64.26 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.52 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.48 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.263 | Crippen Calculated Property | |
| McVol | 99.040 | ml/mol | McGowan Calculated Property |
| Pc | 4288.80 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 490.21 | K | Relay (1.0) Calculated Property |
| Tc | 727.68 | K | Relay (1.0) Calculated Property |
| Tfus | 331.13 | K | Relay (1.0) Calculated Property |
| Vc | 0.368 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Methylpyrazine-2-carboxylate.
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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