- InChI
- InChI=1S/C22H42O4Si/c1-6-7-8-10-14-17-20(26-27(3,4)5)22-19(25-22)16-13-11-9-12-15-18-21(23)24-2/h14,17,19-20,22H,6-13,15-16,18H2,1-5H3/b17-14-
- InChI Key
- FUHPXBDXDJMGOK-VKAVYKQESA-N
- Formula
- C22H42O4Si
- SMILES
-
CCCCCC=CC(O[Si](C)(C)C)C1OC1CC
CCCCCC(=O)OC - 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 | 0.8840 | Relay (... Calculated Property | |
| ΔfG° | -243.70 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1034.26 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 104.07 | kJ/mol | Relay (... Calculated Property |
| IE | 9.20 | eV | Relay (... Calculated Property |
| log10WS | -4.93 | Relay (... Calculated Property | |
| logPoct/wat | 6.014 | Crippen Calculated Property | |
| Pc | 585.91 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2400.00; 2400.00] |
|
|
| Inp | 2400.00 | NIST | |
| Inp | 2400.00 | NIST | |
| Tboil | 618.50 | K | Relay (... Calculated Property |
| Tc | 790.53 | K | Relay (... Calculated Property |
| Tfus | 307.92 | K | Relay (... Calculated Property |
| Vc | 1.312 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 12-Octadecenoic acid, 11-hydroxy, 9,10-epoxy, 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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