- InChI
- InChI=1S/C19H17F3O6Si/c1-29(2,3)28-17(24)13-7-5-8-14(11-13)26-16(23)12-6-4-9-15(10-12)27-18(25)19(20,21)22/h4-11H,1-3H3
- InChI Key
- OHZJAIZULNFHTO-UHFFFAOYSA-N
- Formula
- C19H17F3O6Si
- SMILES
-
C[Si](C)(C)OC(=O)c1cccc(OC(=O)
c2cccc(OC(=O)C(F)(F)F)c2)c1 - Molecular Weight1
- 426.42
- 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 | 0.8953 | Relay (... Calculated Property | |
| ΔfG° | -1063.60 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1610.32 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 96.53 | kJ/mol | Relay (... Calculated Property |
| IE | 9.30 | eV | Relay (... Calculated Property |
| log10WS | -4.97 | Relay (... Calculated Property | |
| logPoct/wat | 4.365 | Crippen Calculated Property | |
| Pc | 893.97 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2281.00; 2281.00] |
|
|
| Inp | 2281.00 | NIST | |
| Inp | 2281.00 | NIST | |
| Tboil | 647.65 | K | Relay (... Calculated Property |
| Tc | 855.35 | K | Relay (... Calculated Property |
| Tfus | 334.39 | K | Relay (... Calculated Property |
| Vc | 1.042 | 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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