- InChI
- InChI=1S/C28H54O2Si/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27(29)30-31(5,6)28(2,3)4/h11-12,14-15H,7-10,13,16-26H2,1-6H3/b12-11-,15-14-
- InChI Key
- NDSATAFMIYTBCN-HDXUUTQWSA-N
- Formula
- C28H54O2Si
- SMILES
-
CCCCCC=CCC=CCCCCCCCCCCCC(=O)O[
Si](C)(C)C(C)(C)C - Molecular Weight1
- 450.81
- Other Names
-
- 13,16-Docasadienoic acid, (z)-, tbdms derivative
- 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 | 0.9942 | Relay (... Calculated Property | |
| ΔfG° | 25.26 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -906.00 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 117.30 | kJ/mol | Relay (... Calculated Property |
| IE | 8.93 | eV | Relay (... Calculated Property |
| log10WS | -8.12 | Relay (... Calculated Property | |
| logPoct/wat | 9.909 | Crippen Calculated Property | |
| Pc | 344.15 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2869.00; 2869.00] |
|
|
| Inp | 2869.00 | NIST | |
| Inp | 2869.00 | NIST | |
| Tboil | 637.85 | K | Relay (... Calculated Property |
| Tc | 837.39 | K | Relay (... Calculated Property |
| Tfus | 287.22 | K | Relay (... Calculated Property |
| Vc | 1.570 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to cis-13,16-Docasadienoic acid, tert-butyldimethylsilyl ester.
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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