- InChI
- InChI=1S/C24H44O2Si/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(25)26-27(5,6)24(2,3)4/h8-9,11-12,14-15H,7,10,13,16-22H2,1-6H3/b9-8-,12-11-,15-14-
- InChI Key
- SLCZCEDSJXGESV-ORZIMQNZSA-N
- Formula
- C24H44O2Si
- SMILES
-
CCC=CCC=CCC=CCCCCCCCC(=O)O[Si]
(C)(C)C(C)(C)C - Molecular Weight1
- 392.69
- Other Names
-
- Linolenic acid, TBDMS
- «ALPHA»-linolenic acid, 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 | 0.7661 | Relay (... Calculated Property | |
| ΔfG° | 49.89 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -766.76 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 101.71 | kJ/mol | Relay (... Calculated Property |
| IE | 8.56 | eV | Relay (... Calculated Property |
| log10WS | -6.52 | Relay (... Calculated Property | |
| logPoct/wat | 8.124 | Crippen Calculated Property | |
| Pc | 666.48 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2468.00; 2472.00] |
|
|
| Inp | 2470.00 | NIST | |
| Inp | 2468.00 | NIST | |
| Inp | 2470.10 | NIST | |
| Inp | 2472.00 | NIST | |
| Inp | 2470.00 | NIST | |
| Inp | 2468.00 | NIST | |
| Tboil | 608.19 | K | Relay (... Calculated Property |
| Tc | 805.08 | K | Relay (... Calculated Property |
| Tfus | 287.51 | K | Relay (... Calculated Property |
| Vc | 1.290 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
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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