- InChI
- InChI=1S/C22H36O4Si3/c1-9-19-13-11-15-21(17-19)23-27(3,4)25-29(7,8)26-28(5,6)24-22-16-12-14-20(10-2)18-22/h11-18H,9-10H2,1-8H3
- InChI Key
- TXIKMZGSSDVEQR-UHFFFAOYSA-N
- Formula
- C22H36O4Si3
- SMILES
-
CCc1cccc(O[Si](C)(C)O[Si](C)(C
)O[Si](C)(C)Oc2cccc(CC)c2)c1 - Molecular Weight1
- 448.78
- 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).
- 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 | 0.8288 | Relay (1.0) Calculated Property | |
| ΔfG° | -138.19 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -968.15 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 93.71 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.55 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 6.408 | Crippen Calculated Property | |
| Pc | 545.59 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2224.00 | NIST | |
| Tboil | 635.63 | K | Relay (1.0) Calculated Property |
| Tc | 847.82 | K | Relay (1.0) Calculated Property |
| Tfus | 286.06 | K | Relay (1.0) Calculated Property |
| Vc | 1.434 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
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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