- InChI
- InChI=1S/C22H42O3Si2/c1-9-13-15-17-19-21(11-3)23-26(5,6)25-27(7,8)24-22(12-4)20-18-16-14-10-2/h21-22H,9-14,19-20H2,1-8H3
- InChI Key
- DHAOVWDVGPHRRY-UHFFFAOYSA-N
- Formula
- C22H42O3Si2
- SMILES
-
CCCC#CCC(CC)O[Si](C)(C)O[Si](C
)(C)OC(CC)CC#CCCC - Molecular Weight1
- 410.74
- 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 | 0.6828 | Relay (... Calculated Property | |
| ΔfG° | 5.14 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -692.22 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 80.60 | kJ/mol | Relay (... Calculated Property |
| IE | 9.05 | eV | Relay (... Calculated Property |
| log10WS | -4.73 | Relay (... Calculated Property | |
| logPoct/wat | 6.384 | Crippen Calculated Property | |
| Pc | 774.69 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2042.00; 2042.00] |
|
|
| Inp | 2042.00 | NIST | |
| Inp | 2042.00 | NIST | |
| Tboil | 574.62 | K | Relay (... Calculated Property |
| Tc | 743.69 | K | Relay (... Calculated Property |
| Tfus | 213.42 | K | Relay (... Calculated Property |
| Vc | 1.370 | 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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