- InChI
- InChI=1S/C5H6SSe/c1-6-5-3-2-4-7-5/h2-4H,1H3
- InChI Key
- KDJCFNABGJTVEI-UHFFFAOYSA-N
- Formula
- C5H6SSe
- SMILES
- CSc1ccc[se]1
- Molecular Weight1
- 177.13
- CAS
- 31053-54-0
- Other Names
-
- 2-(Methylthio)selenophene
- 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 | 0.2467 | Relay (... Calculated Property | |
| ΔfG° | 101.62 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | 115.95 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 52.79 | kJ/mol | Relay (... Calculated Property |
| IE | 8.75 | eV | NIST |
| log10WS | -1.86 | Relay (... Calculated Property | |
| logPoct/wat | 1.466 | Crippen Calculated Property | |
| Pc | 4522.63 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 448.40 | K | Relay (... Calculated Property |
| Tc | 707.83 | K | Relay (... Calculated Property |
| Tfus | 250.41 | K | Relay (... Calculated Property |
| Vc | 0.337 | m3/kmol | Relay (... Calculated Property |
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)
Find more compounds similar to Selenophene, 2-(methylthio)-.
Sources
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- Crippen Method
- Crippen Method
- NIST Webbook
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