- InChI
- InChI=1S/C26H38O2Si/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(27)28-29(5,6)26(2,3)4/h7-10,13,16,19,22-24H2,1-6H3
- InChI Key
- IETVFEJQTXKQKL-UHFFFAOYSA-N
- Formula
- C26H38O2Si
- SMILES
-
CCCCCC#CCC#CCC#CCC#CCCCC(=O)O[
Si](C)(C)C(C)(C)C - Molecular Weight1
- 410.66
- Other Names
-
- 5,8,11,14-Eicosatetraynoic 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 | 0.6507 | Relay (... Calculated Property | |
| ΔfG° | 365.69 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -33.87 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 102.09 | kJ/mol | Relay (... Calculated Property |
| IE | 8.77 | eV | Relay (... Calculated Property |
| log10WS | -6.19 | Relay (... Calculated Property | |
| logPoct/wat | 6.469 | Crippen Calculated Property | |
| Pc | 1039.31 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2881.10; 2881.10] |
|
|
| Inp | 2881.10 | NIST | |
| Inp | 2881.10 | NIST | |
| Tboil | 598.90 | K | Relay (... Calculated Property |
| Tc | 845.41 | K | Relay (... Calculated Property |
| Tfus | 328.60 | K | Relay (... Calculated Property |
| Vc | 1.268 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 5,8,11,14-Eicosatetraynoic 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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