- InChI
- InChI=1S/C28H54O2Si/c1-9-10-11-12-13-14-15-16-17-18-21-24-28(5,6)25-22-19-20-23-26(29)30-31(7,8)27(2,3)4/h21-22,24-25H,9-20,23H2,1-8H3/b24-21-,25-22-
- InChI Key
- OHLZAJVSKLQFMJ-NUJSLWOLSA-N
- Formula
- C28H54O2Si
- SMILES
-
CCCCCCCCCCCC=CC(C)(C)C=CCCCC(=
O)O[Si](C)(C)C(C)(C)C - Molecular Weight1
- 450.81
- 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 | 0.9515 | Relay (1.0) Calculated Property | |
| ΔfG° | 22.28 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -903.24 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 106.83 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.75 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.16 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.765 | Crippen Calculated Property | |
| Pc | 349.12 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2708.10 | NIST | |
| Tboil | 623.42 | K | Relay (1.0) Calculated Property |
| Tc | 826.55 | K | Relay (1.0) Calculated Property |
| Tfus | 300.90 | K | Relay (1.0) Calculated Property |
| Vc | 1.574 | 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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