- InChI
- InChI=1S/C4H4N2O2/c7-5-1-2-6(8)4-3-5/h1-4H
- InChI Key
- SXTKIFFXFIDYJF-UHFFFAOYSA-N
- Formula
- C4H4N2O2
- SMILES
- [O-][n+]1cc[n+]([O-])cc1
- Molecular Weight1
- 112.09
- CAS
- 2423-84-9
- Other Names
-
- Pyrazine di-N-oxide
- Pyrazine dioxide
- Pyrazine N,N'-dioxide
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔsubH° : Enthalpy of sublimation 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).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°solid | -2215.30 ± 1.60 | kJ/mol | NIST |
| ΔfH°gas | 186.50 ± 1.90 | kJ/mol | NIST |
| ΔfH°solid | 116.90 ± 0.80 | kJ/mol | NIST |
| ΔsubH° | [69.60; 116.90] | kJ/mol |
|
| ΔsubH° | 69.60 ± 1.70 | kJ/mol | NIST |
| ΔsubH° | 116.90 ± 0.80 | kJ/mol | NIST |
| IE | 8.33 ± 0.02 | eV | NIST |
| log10WS | -4.53 | Crippen Calculated Property | |
| logPoct/wat | -1.047 | Crippen Calculated Property | |
| McVol | 75.160 | ml/mol | McGowan Calculated Property |
| Tfus | 574.00 ± 4.00 | K | NIST |
Similar Compounds
Find more compounds similar to Pyrazine, 1,4-dioxide.
Sources
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