- InChI
- InChI=1S/C22H30O3Si2/c1-26(2,23-19-11-17-21-13-7-5-8-14-21)25-27(3,4)24-20-12-18-22-15-9-6-10-16-22/h5-18H,19-20H2,1-4H3/b17-11+,18-12+
- InChI Key
- ZDUJDXFBQGWEAE-JYFOCSDGSA-N
- Formula
- C22H30O3Si2
- SMILES
-
C[Si](C)(OCC=Cc1ccccc1)O[Si](C
)(C)OCC=Cc1ccccc1 - Molecular Weight1
- 398.64
- 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 | 0.6513 | Relay (... Calculated Property | |
| ΔfG° | 143.49 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -505.11 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 100.63 | kJ/mol | Relay (... Calculated Property |
| IE | 8.49 | eV | Relay (... Calculated Property |
| log10WS | -5.36 | Relay (... Calculated Property | |
| logPoct/wat | 5.867 | Crippen Calculated Property | |
| Pc | 1019.01 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 2538.00 | NIST | |
| Tboil | 655.94 | K | Relay (... Calculated Property |
| Tc | 870.77 | K | Relay (... Calculated Property |
| Tfus | 308.05 | K | Relay (... Calculated Property |
| Vc | 1.201 | 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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