- InChI
- InChI=1S/C27H56O2Si/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(28)29-30(5,6)27(2,3)4/h7-25H2,1-6H3
- InChI Key
- YEKXLWIPRQLLFO-UHFFFAOYSA-N
- Formula
- C27H56O2Si
- SMILES
-
CCCCCCCCCCCCCCCCCCCCC(=O)O[Si]
(C)(C)C(C)(C)C - Molecular Weight1
- 440.82
- Other Names
-
- tert-Butyl(dimethyl)silyl henicosanoate
- Heneicosanoic acid, TBDMS
- Heneicosanoic 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 | 1.1203 | Relay (1.0) Calculated Property | |
| ΔfG° | -91.94 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1003.72 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 116.19 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.91 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.65 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.967 | Crippen Calculated Property | |
| Pc | 394.92 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2778.90; 2791.00] |
|
|
| Inp | 2778.90 | NIST | |
| Inp | 2791.00 | NIST | |
| Inp | 2778.90 | NIST | |
| Inp | 2791.00 | NIST | |
| Tboil | 625.95 | K | Relay (1.0) Calculated Property |
| Tc | 829.71 | K | Relay (1.0) Calculated Property |
| Tfus | 312.10 | K | Relay (1.0) Calculated Property |
| Vc | 1.633 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Heneicosanoic 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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