- InChI
- InChI=1S/C21H38ClNO2Si2/c1-20(2,3)15-21(4,5)17-12-16(14-23-25-27(9,10)11)19(18(22)13-17)24-26(6,7)8/h12-14H,15H2,1-11H3/b23-14+
- InChI Key
- KNOHPLJYSYEMDF-OEAKJJBVSA-N
- Formula
- C21H38ClNO2Si2
- SMILES
-
CC(C)(C)CC(C)(C)c1cc(Cl)c(O[Si
](C)(C)C)c(C=NO[Si](C)(C)C)c1 - Molecular Weight1
- 428.16
- 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 | 0.8014 | Relay (... Calculated Property | |
| ΔfG° | 97.53 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -590.18 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 78.22 | kJ/mol | Relay (... Calculated Property |
| IE | 8.23 | eV | Relay (... Calculated Property |
| log10WS | -6.80 | Relay (... Calculated Property | |
| logPoct/wat | 7.453 | Crippen Calculated Property | |
| Pc | 550.79 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2105.00; 2107.00] |
|
|
| Inp | 2105.00 | NIST | |
| Inp | 2107.00 | NIST | |
| Inp | 2105.00 | NIST | |
| Tboil | 595.19 | K | Relay (... Calculated Property |
| Tc | 843.11 | K | Relay (... Calculated Property |
| Tfus | 347.16 | K | Relay (... Calculated Property |
| Vc | 1.363 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Benzaldehyde, 2-hydroxy, 3-chloro-5-tert.-octyl, oxime, TMS.
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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