- InChI
- InChI=1S/C12H8OSe/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-8H
- InChI Key
- IZEKPBQZEZRUJK-UHFFFAOYSA-N
- Formula
- C12H8OSe
- SMILES
- c1ccc2c(c1)Oc1ccccc1[Se]2
- Molecular Weight1
- 247.15
- CAS
- 262-22-6
- Other Names
-
- Phenoxaselenine
- 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 | 0.4443 | Relay (... Calculated Property | |
| ΔfG° | 96.56 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | 111.26 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 76.63 | kJ/mol | Relay (... Calculated Property |
| IE | 7.74 ± 0.05 | eV | NIST |
| log10WS | -5.67 | Relay (... Calculated Property | |
| logPoct/wat | 1.447 | Crippen Calculated Property | |
| Pc | 4284.36 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 579.22 | K | Relay (... Calculated Property |
| Tc | 878.21 | K | Relay (... Calculated Property |
| Tfus | 381.32 | K | Relay (... Calculated Property |
| Vc | 0.538 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Phenoxaselenin.
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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