- InChI
- InChI=1S/C26H43ClO3Si2/c1-24-13-12-20(28)23(27)22(24)21(29-31(4,5)6)16-17-18(24)10-14-25(2)19(17)11-15-26(25,3)30-32(7,8)9/h12-13,17-19,21H,10-11,14-16H2,1-9H3/t17?,18?,19?,21-,24?,25?,26-/m1/s1
- InChI Key
- TYFGLBZGTXUKIU-MBTZSFDLSA-N
- Formula
- C26H43ClO3Si2
- SMILES
-
CC12C=CC(=O)C(Cl)=C1C(O[Si](C)
(C)C)CC1C2CCC2(C)C1CCC2(C)O[Si ](C)(C)C - Molecular Weight1
- 495.24
- 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 | 0.6017 | Relay (... Calculated Property | |
| ΔfG° | -41.92 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -798.30 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 107.89 | kJ/mol | Relay (... Calculated Property |
| IE | 8.68 | eV | Relay (... Calculated Property |
| log10WS | -6.03 | Relay (... Calculated Property | |
| logPoct/wat | 7.301 | Crippen Calculated Property | |
| Pc | 224.27 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [3139.00; 3139.00] |
|
|
| Inp | 3139.00 | NIST | |
| Inp | 3139.00 | NIST | |
| Tboil | 667.52 | K | Relay (... Calculated Property |
| Tc | 957.38 | K | Relay (... Calculated Property |
| Tfus | 404.60 | K | Relay (... Calculated Property |
| Vc | 1.483 | 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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