- InChI
- InChI=1S/C27H40Cl2OSi/c1-25(2,3)18-27(7,8)21-12-14-24(30-31(9,10)26(4,5)6)20(16-21)15-19-11-13-22(28)17-23(19)29/h11-14,16-17H,15,18H2,1-10H3
- InChI Key
- TWKXUBZYVZFJTK-UHFFFAOYSA-N
- Formula
- C27H40Cl2OSi
- SMILES
-
CC(C)(C)CC(C)(C)c1ccc(O[Si](C)
(C)C(C)(C)C)c(Cc2ccc(Cl)cc2Cl) c1 - Molecular Weight1
- 479.60
- Other Names
-
- Clofoctol, tbdms derivative
- 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 | 0.7864 | Relay (... Calculated Property | |
| ΔfG° | 147.40 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -463.26 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 105.25 | kJ/mol | Relay (... Calculated Property |
| IE | 8.08 | eV | Relay (... Calculated Property |
| log10WS | -8.81 | Relay (... Calculated Property | |
| logPoct/wat | 9.682 | Crippen Calculated Property | |
| Pc | 663.20 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 2740.90 | NIST | |
| Tboil | 694.48 | K | Relay (... Calculated Property |
| Tc | 953.33 | K | Relay (... Calculated Property |
| Tfus | 390.82 | K | Relay (... Calculated Property |
| Vc | 1.456 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Clofoctol, tert-butyldimethylsilyl ether.
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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