- InChI
- InChI=1S/C16H19F5O3SSi/c1-14(2,3)26(4,5)24-12(22)10-8-6-7-9-11(10)25-13(23)15(17,18)16(19,20)21/h6-9H,1-5H3
- InChI Key
- RDUIIDQTASIGGK-UHFFFAOYSA-N
- Formula
- C16H19F5O3SSi
- SMILES
-
CC(C)(C)[Si](C)(C)OC(=O)c1cccc
c1SC(=O)C(F)(F)C(F)(F)F - Molecular Weight1
- 414.46
- 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 | 0.6263 | Relay (1.0) Calculated Property | |
| ΔfG° | -1198.98 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1713.10 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 74.35 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.94 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.73 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.665 | Crippen Calculated Property | |
| Pc | 1452.39 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 1720.00 | NIST | |
| Tboil | 564.48 | K | Relay (1.0) Calculated Property |
| Tc | 746.11 | K | Relay (1.0) Calculated Property |
| Tfus | 315.43 | K | Relay (1.0) Calculated Property |
| Vc | 0.950 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
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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