- InChI
- InChI=1S/C22H28O3Si/c1-16(21(24)25-26(5,6)22(2,3)4)18-13-10-14-19(15-18)20(23)17-11-8-7-9-12-17/h7-16H,1-6H3
- InChI Key
- RSVRVWBKDFBBAT-UHFFFAOYSA-N
- Formula
- C22H28O3Si
- SMILES
-
CC(C(=O)O[Si](C)(C)C(C)(C)C)c1
cccc(C(=O)c2ccccc2)c1 - Molecular Weight1
- 368.54
- 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 | 0.7254 | Relay (1.0) Calculated Property | |
| ΔfG° | -67.03 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -570.38 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 102.36 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.87 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.02 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.569 | Crippen Calculated Property | |
| Pc | 1233.41 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2479.80; 2479.80] |
|
|
| Inp | 2479.80 | NIST | |
| Inp | 2479.80 | NIST | |
| Tboil | 648.96 | K | Relay (1.0) Calculated Property |
| Tc | 918.39 | K | Relay (1.0) Calculated Property |
| Tfus | 360.93 | K | Relay (1.0) Calculated Property |
| Vc | 1.097 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
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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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