- InChI
- InChI=1S/C26H43ClO2Si2/c1-24-15-14-22(28-30(4,5)6)23(27)21(24)11-10-18-19(24)12-16-25(2)20(18)13-17-26(25,3)29-31(7,8)9/h11,14-15,18-20H,10,12-13,16-17H2,1-9H3
- InChI Key
- GBKVYVYEVCEEMU-UHFFFAOYSA-N
- Formula
- C26H43ClO2Si2
- SMILES
-
CC12C=CC(O[Si](C)(C)C)=C(Cl)C1
=CCC1C2CCC2(C)C1CCC2(C)O[Si](C )(C)C - Molecular Weight1
- 479.24
- 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 | 0.5601 | Relay (1.0) Calculated Property | |
| ΔfG° | 113.46 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -651.70 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 98.99 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.11 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.52 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.247 | Crippen Calculated Property | |
| Pc | 159.37 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2977.00; 2977.00] |
|
|
| Inp | 2977.00 | NIST | |
| Inp | 2977.00 | NIST | |
| Tboil | 653.61 | K | Relay (1.0) Calculated Property |
| Tc | 926.43 | K | Relay (1.0) Calculated Property |
| Tfus | 396.32 | K | Relay (1.0) Calculated Property |
| Vc | 1.458 | m3/kmol | Relay (1.0) 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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