- InChI
- InChI=1S/C9H9NSe/c1-6-3-4-9-8(5-6)10-7(2)11-9/h3-5H,1-2H3
- InChI Key
- HZGFZMGOLYMNGC-UHFFFAOYSA-N
- Formula
- C9H9NSe
- SMILES
- Cc1ccc2[se]c(C)nc2c1
- Molecular Weight1
- 210.13
- CAS
- 2818-89-5
- Other Names
-
- Benzoselenazole, 2,5-dimethyl-
- 2,5-Dimethylbenzoselenazole
- 2,5-Dimethylbenzselenazol
- 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 | 0.4215 | Relay (... Calculated Property | |
| ΔfG° | 188.27 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | 136.46 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 61.65 | kJ/mol | Relay (... Calculated Property |
| IE | 8.22 | eV | Relay (... Calculated Property |
| log10WS | -2.26 | Relay (... Calculated Property | |
| logPoct/wat | 1.909 | Crippen Calculated Property | |
| Pc | 3868.82 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 513.42 | K | Relay (... Calculated Property |
| Tc | 806.05 | K | Relay (... Calculated Property |
| Tfus | 323.06 | K | Relay (... Calculated Property |
| Vc | 0.477 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 2,5-Dimethylbenzselenazole.
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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