- InChI
- InChI=1S/C28H60O5Si3/c1-12-13-17-20-25(31-34(3,4)5)23-24-27(33-36(9,10)11)26(32-35(6,7)8)21-18-15-14-16-19-22-28(29)30-2/h23-27H,12-22H2,1-11H3/b24-23-
- InChI Key
- KSPFBLAYGBDSKW-VHXPQNKSSA-N
- Formula
- C28H60O5Si3
- SMILES
-
CCCCCC(C=CC(O[Si](C)(C)C)C(CCC
CCCCC(=O)OC)O[Si](C)(C)C)O[Si] (C)(C)C - Molecular Weight1
- 561.03
- 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 | 1.0469 | Relay (... Calculated Property | |
| ΔfG° | -322.18 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1544.93 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 103.48 | kJ/mol | Relay (... Calculated Property |
| IE | 9.02 | eV | Relay (... Calculated Property |
| log10WS | -5.59 | Relay (... Calculated Property | |
| logPoct/wat | 8.687 | Crippen Calculated Property | |
| Pc | -267.08 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 2519.00 | NIST | |
| Tboil | 655.14 | K | Relay (... Calculated Property |
| Tc | 800.75 | K | Relay (... Calculated Property |
| Tfus | 286.07 | K | Relay (... Calculated Property |
| Vc | 1.897 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 11-Octadecenoic acid, 9,10,13-tris-hydroxy, TMS, methyl ester, # 1.
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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