- InChI
- InChI=1S/C17H19F7O4Si/c1-14(2,3)29(4,5)28-12(25)10-8-6-7-9-11(10)27-13(26)15(18,19)16(20,21)17(22,23)24/h6-9H,1-5H3
- InChI Key
- UNRMEYLLZDIQQR-UHFFFAOYSA-N
- Formula
- C17H19F7O4Si
- SMILES
-
CC(C)(C)[Si](C)(C)OC(=O)c1cccc
c1OC(=O)C(F)(F)C(F)(F)C(F)(F)F - Molecular Weight1
- 448.40
- 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 | 0.7405 | Relay (... Calculated Property | |
| ΔfG° | -1709.67 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -2308.06 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 74.52 | kJ/mol | Relay (... Calculated Property |
| IE | 9.28 | eV | Relay (... Calculated Property |
| log10WS | -5.85 | Relay (... Calculated Property | |
| logPoct/wat | 5.587 | Crippen Calculated Property | |
| Pc | 1225.10 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [1590.00; 1590.00] |
|
|
| Inp | 1590.00 | NIST | |
| Inp | 1590.00 | NIST | |
| Tboil | 556.12 | K | Relay (... Calculated Property |
| Tc | 740.26 | K | Relay (... Calculated Property |
| Tfus | 293.99 | K | Relay (... Calculated Property |
| Vc | 1.027 | 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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