- InChI
- InChI=1S/C22H42O4Si/c1-24-22(23)18-14-10-7-9-13-17-21-20(26-21)16-12-8-5-6-11-15-19-25-27(2,3)4/h8,12,20-21H,5-7,9-11,13-19H2,1-4H3/b12-8-
- InChI Key
- RKBGTYUMOJVKKZ-WQLSENKSSA-N
- Formula
- C22H42O4Si
- SMILES
-
COC(=O)CCCCCCCC1OC1CC=CCCCCCO[
Si](C)(C)C - Molecular Weight1
- 398.65
- 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 | 0.9253 | Relay (... Calculated Property | |
| ΔfG° | -209.94 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1045.38 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 109.55 | kJ/mol | Relay (... Calculated Property |
| IE | 9.15 | eV | Relay (... Calculated Property |
| log10WS | -4.61 | Relay (... Calculated Property | |
| logPoct/wat | 6.016 | Crippen Calculated Property | |
| Pc | 609.15 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 2700.00 | NIST | |
| Tboil | 635.74 | K | Relay (... Calculated Property |
| Tc | 808.00 | K | Relay (... Calculated Property |
| Tfus | 303.50 | K | Relay (... Calculated Property |
| Vc | 1.323 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 9,10-epoxy-18-hydroxyoctadec-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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