- InChI
- InChI=1S/C17H19F7O3SSi/c1-14(2,3)29(4,5)27-12(25)10-6-8-11(9-7-10)28-13(26)15(18,19)16(20,21)17(22,23)24/h6-9H,1-5H3
- InChI Key
- IJFWVOTYOSSYGA-UHFFFAOYSA-N
- Formula
- C17H19F7O3SSi
- SMILES
-
CC(C)(C)[Si](C)(C)OC(=O)c1ccc(
SC(=O)C(F)(F)C(F)(F)C(F)(F)F)c c1 - Molecular Weight1
- 464.47
- 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 | 0.6816 | Relay (... Calculated Property | |
| ΔfG° | -1592.57 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -2129.72 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 80.86 | kJ/mol | Relay (... Calculated Property |
| IE | 9.16 | eV | Relay (... Calculated Property |
| log10WS | -6.53 | Relay (... Calculated Property | |
| logPoct/wat | 6.300 | Crippen Calculated Property | |
| Pc | 1277.09 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [1828.00; 1828.00] |
|
|
| Inp | 1828.00 | NIST | |
| Inp | 1828.00 | NIST | |
| Tboil | 584.62 | K | Relay (... Calculated Property |
| Tc | 744.80 | K | Relay (... Calculated Property |
| Tfus | 323.77 | K | Relay (... Calculated Property |
| Vc | 1.028 | m3/kmol | Relay (... 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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