- InChI
- InChI=1S/C27H48O3Si3/c1-27-18-24(29-32(5,6)7)26-21-14-12-20(28-31(2,3)4)17-19(21)11-13-22(26)23(27)15-16-25(27)30-33(8,9)10/h12,14,17,22-26H,11,13,15-16,18H2,1-10H3/t22?,23?,24-,25-,26?,27-/m1/s1
- InChI Key
- LCDDQBUJLDWLBA-MMZAQROYSA-N
- Formula
- C27H48O3Si3
- SMILES
-
CC12CC(O[Si](C)(C)C)C3c4ccc(O[
Si](C)(C)C)cc4CCC3C1CCC2O[Si]( C)(C)C - Molecular Weight1
- 504.92
- 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 | 0.7330 | Relay (... Calculated Property | |
| ΔfG° | -3.81 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -883.72 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 105.81 | kJ/mol | Relay (... Calculated Property |
| IE | 8.38 | eV | Relay (... Calculated Property |
| log10WS | -6.36 | Relay (... Calculated Property | |
| logPoct/wat | 7.806 | Crippen Calculated Property | |
| Pc | -59.20 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2809.00; 2809.00] |
|
|
| Inp | 2809.00 | NIST | |
| Inp | 2809.00 | NIST | |
| Tboil | 700.21 | K | Relay (... Calculated Property |
| Tc | 948.77 | K | Relay (... Calculated Property |
| Tfus | 376.86 | K | Relay (... Calculated Property |
| Vc | 1.625 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
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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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