- InChI
- InChI=1S/C8H8N2Se/c1-5-3-7-8(4-6(5)2)10-11-9-7/h3-4H,1-2H3
- InChI Key
- JXAGKGMQYSONPB-UHFFFAOYSA-N
- Formula
- C8H8N2Se
- SMILES
- Cc1cc2n[se]nc2cc1C
- Molecular Weight1
- 211.12
- CAS
- 2626-34-8
- 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.
- 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 | 0.4715 | Relay (... Calculated Property | |
| ΔfG° | 279.53 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | 291.92 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 79.37 | kJ/mol | Relay (... Calculated Property |
| IE | 8.45 | eV | Relay (... Calculated Property |
| log10WS | -3.21 | Relay (... Calculated Property | |
| logPoct/wat | 1.304 | Crippen Calculated Property | |
| Pc | 5084.11 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 539.26 | K | Relay (... Calculated Property |
| Tc | 850.21 | K | Relay (... Calculated Property |
| Tfus | 433.69 | K | Relay (... Calculated Property |
| Vc | 0.460 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Benzoselenadiazole, 5,6-dimethyl-2,1,3-.
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
- NIST Webbook
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