- InChI
- InChI=1S/C23H38O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-26(2,3)4/h6-7,9-10,12-13,15-16,18-19H,5,8,11,14,17,20-22H2,1-4H3/b7-6-,10-9-,13-12-,16-15-,19-18-
- InChI Key
- HNOHDFAKOUJBRG-WMPRHZDHSA-N
- Formula
- C23H38O2Si
- SMILES
-
CCC=CCC=CCC=CCC=CCC=CCCCC(=O)O
[Si](C)(C)C - Molecular Weight1
- 374.63
- Other Names
-
- Eicosapentaenoic 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 | 0.6089 | Relay (1.0) Calculated Property | |
| ΔfG° | 136.91 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -656.88 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 109.85 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.49 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.92 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.286 | Crippen Calculated Property | |
| Pc | 362.94 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2380.30; 2380.30] |
|
|
| Inp | 2380.30 | NIST | |
| Inp | 2380.30 | NIST | |
| Tboil | 607.32 | K | Relay (1.0) Calculated Property |
| Tc | 770.87 | K | Relay (1.0) Calculated Property |
| Tfus | 282.31 | K | Relay (1.0) Calculated Property |
| Vc | 1.162 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to cis-5,8,11,14,17-Eicosapentaenoic 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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