- InChI
- InChI=1S/C8H6N2Se/c1-2-4-7(5-3-1)8-6-11-10-9-8/h1-6H
- InChI Key
- LEWDFWSHOZUNRZ-UHFFFAOYSA-N
- Formula
- C8H6N2Se
- SMILES
- c1ccc(-c2c[se]nn2)cc1
- Molecular Weight1
- 209.11
- CAS
- 25660-64-4
- 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).
- ΔsubH : Enthalpy of sublimation at a given temperature (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°solid | -4589.80 ± 8.40 | kJ/mol | NIST |
| ΔfH°gas | 452.30 ± 8.40 | kJ/mol | NIST |
| ΔfH°solid | 358.00 ± 8.40 | kJ/mol | NIST |
| ΔsubH° | 94.10 ± 0.80 | kJ/mol | NIST |
| IE | [8.10; 8.80] | eV |
|
| IE | 8.10 | eV | NIST |
| IE | 8.80 | eV | NIST |
| log10WS | -0.73 | Crippen Calculated Property | |
| logPoct/wat | 1.201 | Crippen Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔsubH | [90.70; 94.10] | kJ/mol | [309.00; 336.00] |
|
| ΔsubH | 91.20 ± 1.70 | kJ/mol | 309.00 | NIST |
| ΔsubH | 94.10 ± 0.80 | kJ/mol | 327.00 | NIST |
| ΔsubH | 90.70 | kJ/mol | 336.00 | NIST |
Similar Compounds
Find more compounds similar to 1,2,3-Selenadiazole, 4-phenyl-.
Sources
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