- InChI
- InChI=1S/C28H60O5Si3/c1-30-28(29)24-20-16-13-15-19-23-27(33-36(8,9)10)26(32-35(5,6)7)22-18-14-11-12-17-21-25-31-34(2,3)4/h14,18,26-27H,11-13,15-17,19-25H2,1-10H3/b18-14-
- InChI Key
- WIZYORSJSLAYHG-JXAWBTAJSA-N
- Formula
- C28H60O5Si3
- SMILES
-
COC(=O)CCCCCCCC(O[Si](C)(C)C)C
(CC=CCCCCCO[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 | 1.0851 | Relay (... Calculated Property | |
| ΔfG° | -293.81 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1544.53 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 109.20 | kJ/mol | Relay (... Calculated Property |
| IE | 9.01 | eV | Relay (... Calculated Property |
| log10WS | -5.55 | Relay (... Calculated Property | |
| logPoct/wat | 8.688 | Crippen Calculated Property | |
| Pc | -244.48 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2743.00; 2743.00] |
|
|
| Inp | 2743.00 | NIST | |
| Inp | 2743.00 | NIST | |
| Tboil | 669.79 | K | Relay (... Calculated Property |
| Tc | 818.32 | K | Relay (... Calculated Property |
| Tfus | 276.06 | K | Relay (... Calculated Property |
| Vc | 1.899 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 9,10,18-trihydroxyoctadec-12-enoic acid, methyl ester TMSi ether.
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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