- InChI
- InChI=1S/C29H51ClO3Si3/c1-27-16-15-23(31-34(4,5)6)26(30)25(27)24(32-35(7,8)9)19-20-21(27)13-17-28(2)22(20)14-18-29(28,3)33-36(10,11)12/h15-16,20-22H,13-14,17-19H2,1-12H3
- InChI Key
- RJRDWQNBTOPZNE-UHFFFAOYSA-N
- Formula
- C29H51ClO3Si3
- SMILES
-
CC12C=CC(O[Si](C)(C)C)=C(Cl)C1
=C(O[Si](C)(C)C)CC1C2CCC2(C)C1 CCC2(C)O[Si](C)(C)C - Molecular Weight1
- 567.42
- 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 | 0.6650 | Relay (... Calculated Property | |
| ΔfG° | 16.03 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -936.14 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 100.07 | kJ/mol | Relay (... Calculated Property |
| IE | 7.99 | eV | Relay (... Calculated Property |
| log10WS | -6.75 | Relay (... Calculated Property | |
| logPoct/wat | 9.426 | Crippen Calculated Property | |
| Pc | -328.07 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [3018.00; 3018.00] |
|
|
| Inp | 3018.00 | NIST | |
| Inp | 3018.00 | NIST | |
| Tboil | 676.24 | K | Relay (... Calculated Property |
| Tc | 953.39 | K | Relay (... Calculated Property |
| Tfus | 377.17 | K | Relay (... Calculated Property |
| Vc | 1.749 | 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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