- InChI
- InChI=1S/C16H12F8OSi/c1-26(2,15-13(20)11(18)10(17)12(19)14(15)21)25-7-8-5-3-4-6-9(8)16(22,23)24/h3-6H,7H2,1-2H3
- InChI Key
- VIKXEYMRMOWJDE-UHFFFAOYSA-N
- Formula
- C16H12F8OSi
- SMILES
-
C[Si](C)(OCc1ccccc1C(F)(F)F)c1
c(F)c(F)c(F)c(F)c1F - Molecular Weight1
- 400.34
- 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 | 0.6450 | Relay (1.0) Calculated Property | |
| ΔfG° | -1194.00 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1549.13 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 75.36 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.33 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.85 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.030 | Crippen Calculated Property | |
| Pc | 1442.28 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1606.00; 1606.00] |
|
|
| Inp | 1606.00 | NIST | |
| Inp | 1606.00 | NIST | |
| Tboil | 542.91 | K | Relay (1.0) Calculated Property |
| Tc | 748.46 | K | Relay (1.0) Calculated Property |
| Tfus | 308.37 | K | Relay (1.0) Calculated Property |
| Vc | 0.873 | 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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