- InChI
- InChI=1S/C15H19F3O3SSi/c1-14(2,3)23(4,5)21-12(19)10-8-6-7-9-11(10)22-13(20)15(16,17)18/h6-9H,1-5H3
- InChI Key
- YCXIWNNFRNKRKA-UHFFFAOYSA-N
- Formula
- C15H19F3O3SSi
- SMILES
-
CC(C)(C)[Si](C)(C)OC(=O)c1cccc
c1SC(=O)C(F)(F)F - Molecular Weight1
- 364.45
- 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 | 0.5755 | Relay (1.0) Calculated Property | |
| ΔfG° | -784.23 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1266.27 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 71.23 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.90 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.69 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.030 | Crippen Calculated Property | |
| Pc | 1592.45 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1725.00; 1725.00] |
|
|
| Inp | 1725.00 | NIST | |
| Inp | 1725.00 | NIST | |
| Tboil | 561.52 | K | Relay (1.0) Calculated Property |
| Tc | 749.90 | K | Relay (1.0) Calculated Property |
| Tfus | 318.98 | K | Relay (1.0) Calculated Property |
| Vc | 0.875 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 2-trifluoroacetylthio-, tert.-butyldimethylsilyl ester.
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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