- InChI
- InChI=1S/C7H15F3O3SSi/c1-6(2,3)15(4,5)13-14(11,12)7(8,9)10/h1-5H3
- InChI Key
- WLLIXJBWWFGEHT-UHFFFAOYSA-N
- Formula
- C7H15F3O3SSi
- SMILES
-
CC(C)(C)[Si](C)(C)OS(=O)(=O)C(
F)(F)F - Molecular Weight1
- 264.34
- CAS
- 69739-34-0
- Other Names
-
- t-Butyldimethylsilyl triflate
- t-Butyldimethylsilyltrifluoromethanesulfonate
- Methanesulfonic acid, trifluoro-, (1,1-dimethylethyl)dimethylsilyl ester
- t-Butylmethylsilyl triflate
- tert-butyldimethylsilyl trifluoromethanesulphonate
- 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).
- Tboilr : Boiling point at reduced pressure (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 | 0.4627 | Relay (... Calculated Property | |
| ΔfG° | -917.73 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1324.95 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 55.20 | kJ/mol | Relay (... Calculated Property |
| IE | 10.67 | eV | Relay (... Calculated Property |
| log10WS | -2.41 | Relay (... Calculated Property | |
| logPoct/wat | 2.858 | Crippen Calculated Property | |
| Pc | 2167.99 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 410.75 | K | Relay (... Calculated Property |
| Tc | 611.19 | K | Relay (... Calculated Property |
| Tfus | 320.29 | K | Relay (... Calculated Property |
| Vc | 0.637 | m3/kmol | Relay (... Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 339.00 ± 1.00 | K | 1.60 | NIST |
Similar Compounds
Find more compounds similar to tert-Butyldimethylsilyl trifluoromethanesulfonate.
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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