- InChI
- InChI=1S/C21H38O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-24(2,3)4/h6-7,9-10,12-13H,5,8,11,14-20H2,1-4H3/b7-6-,10-9-,13-12-
- InChI Key
- DCFAEXKJEMZTKR-QNEBEIHSSA-N
- Formula
- C21H38O2Si
- SMILES
-
CCC=CCC=CCC=CCCCCCCCC(=O)O[Si]
(C)(C)C - Molecular Weight1
- 350.61
- CAS
- 97844-13-8
- Other Names
-
- Trimethylsilyl (3Z,6Z,9Z)-3,6,9-octadecatrienoate
- «alpha»-Linolenic acid, TMS
- cis,cis,cis-9,12,15-Octadecatrienoic acid, trimethylsilyl ester
- Trimethylsilyl linolenate
- «ALPHA»-linolenic acid, tms 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 | 0.7287 | Relay (1.0) Calculated Property | |
| ΔfG° | 15.62 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -724.10 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 100.06 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.69 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.91 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.954 | Crippen Calculated Property | |
| Pc | 549.57 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2218.00; 2218.70] |
|
|
| Inp | 2218.00 | NIST | |
| Inp | 2218.70 | NIST | |
| Inp | 2218.00 | NIST | |
| Tboil | 593.21 | K | Relay (1.0) Calculated Property |
| Tc | 757.74 | K | Relay (1.0) Calculated Property |
| Tfus | 267.49 | K | Relay (1.0) Calculated Property |
| Vc | 1.163 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to «alpha»-Linolenic acid, trimethylsilyl 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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