- InChI
- InChI=1S/C12H20S2Si/c1-12(2,3)15(4,5)14-11-9-7-6-8-10(11)13/h6-9,13H,1-5H3
- InChI Key
- SHUFJTURCMWMAG-UHFFFAOYSA-N
- Formula
- C12H20S2Si
- SMILES
- CC(C)(C)[Si](C)(C)Sc1ccccc1S
- Molecular Weight1
- 256.50
- Other Names
-
- 1,2-Benzenedithiol, tbdms derivative
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.3630 | Relay (1.0) Calculated Property | |
| ΔfG° | 142.65 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -121.92 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 67.17 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.83 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.94 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.073 | Crippen Calculated Property | |
| Pc | 2222.44 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 1788.60 | NIST | |
| Tboil | 565.07 | K | Relay (1.0) Calculated Property |
| Tc | 789.69 | K | Relay (1.0) Calculated Property |
| Tfus | 343.74 | K | Relay (1.0) Calculated Property |
| Vc | 0.708 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Benzenedithiol, S-(tert-butyldimethylsilyl)-.
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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