- InChI
- InChI=1S/C4H4N2/c1-2-4-6-5-3-1/h1-4H
- InChI Key
- PBMFSQRYOILNGV-UHFFFAOYSA-N
- Formula
- C4H4N2
- SMILES
- c1ccnnc1
- Molecular Weight1
- 80.09
- CAS
- 289-80-5
- Other Names
-
- 1,2-Diazabenzene
- 1,2-Diazine
- Orthodiazine
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- EA : Electron affinity (eV).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°liquid : Liquid phase 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).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| PAff | 907.20 | kJ/mol | NIST |
| BasG | 877.10 | kJ/mol | NIST |
| ΔcH°liquid | -2370.60 ± 0.92 | kJ/mol | NIST |
| EA | [-0.32; 0.01] | eV |
|
| EA | 0.01 | eV | NIST |
| EA | -0.32 | eV | NIST |
| ΔfH°gas | 278.40 ± 1.30 | kJ/mol | NIST |
| ΔfH°liquid | 224.90 ± 0.92 | kJ/mol | NIST |
| ΔvapH° | [53.50; 53.50] | kJ/mol |
|
| ΔvapH° | 53.50 ± 0.40 | kJ/mol | NIST |
| ΔvapH° | 53.50 ± 0.40 | kJ/mol | NIST |
| ΔvapH° | 53.50 | kJ/mol | NIST |
| IE | [8.64; 9.31] | eV |
|
| IE | 8.74 ± 0.11 | eV | NIST |
| IE | 8.64 | eV | NIST |
| IE | 8.71 ± 0.00 | eV | NIST |
| IE | 8.90 | eV | NIST |
| IE | 8.71 ± 0.01 | eV | NIST |
| IE | 9.31 | eV | NIST |
| IE | 9.31 | eV | NIST |
| log10WS | [1.10; 1.10] |
|
|
| log10WS | 1.10 | Aq. Sol... | |
| log10WS | 1.10 | Estimat... | |
| logPoct/wat | 0.477 | Crippen Calculated Property | |
| McVol | 63.420 | ml/mol | McGowan Calculated Property |
| Inp | [894.00; 915.00] |
|
|
| Inp | 915.00 | NIST | |
| Inp | 915.00 | NIST | |
| Inp | 915.00 | NIST | |
| Inp | 894.00 | NIST | |
| Inp | 894.00 | NIST | |
| Tboil | [480.35; 481.20] | K |
|
| Tboil | 481.20 | K | NIST |
| Tboil | 480.35 ± 0.60 | K | NIST |
Similar Compounds
Find more compounds similar to Pyridazine.
Sources
- Crippen Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
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