- InChI
- InChI=1S/C5H4N2O2/c8-5(9)4-3-6-1-2-7-4/h1-3H,(H,8,9)
- InChI Key
- NIPZZXUFJPQHNH-UHFFFAOYSA-N
- Formula
- C5H4N2O2
- SMILES
- O=C(O)c1cnccn1
- Molecular Weight1
- 124.10
- CAS
- 98-97-5
- Other Names
-
- 1,4-diazinecarboxylic acid
- 2-carboxypyrazine
- 2-pyrazinecarboxylic acid
- 2-pyrazinoic acid
- NSC 13146
- Paradiazinecarboxylic acid
- Piazinecarboxylic acid
- Pyrazine-2-carboxylic acid
- Pyrazinemonocarboxylic acid
- Pyrazoic acid
- pyrazinecarboxylic acid
- pyrazinic acid
- 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 | 0.6588 | Relay (1.0) Calculated Property | |
| ΔfG° | -95.41 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -177.66 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 81.23 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.61 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.22 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.175 | Crippen Calculated Property | |
| McVol | 84.950 | ml/mol | McGowan Calculated Property |
| Pc | 5541.86 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 539.16 | K | Relay (1.0) Calculated Property |
| Tc | 821.01 | K | Relay (1.0) Calculated Property |
| Tfus | 458.42 | K | Relay (1.0) Calculated Property |
| Vc | 0.306 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Pyrazinoic acid.
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
- Low-temperature Heat Capacity and the Standard Molar Enthalpy of Formation of Compound Chromium(III) Tri(2-Pyrazinecarboxylate)
- McGowan Method
- NIST Webbook
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