- InChI
- InChI=1S/C12H26O2Si/c1-7-8-9-10-11(13)14-15(5,6)12(2,3)4/h7-10H2,1-6H3
- InChI Key
- SSUYOKULCCIOEK-UHFFFAOYSA-N
- Formula
- C12H26O2Si
- SMILES
- CCCCCC(=O)O[Si](C)(C)C(C)(C)C
- Molecular Weight1
- 230.42
- Other Names
-
- tert-Butyl(dimethyl)silyl hexanoate
- Hexanoic acid, DMTBS
- Hexanoic acid, TBDMS
- Caproic acid, DMTBS
- Caproic acid, TBDMS
- Hexanoic acid, tbdms derivative
- ω : Acentric Factor.
- 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.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.5761 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -705.06 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 58.66 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.65 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.33 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.115 | Crippen Calculated Property | |
| Pc | 1799.54 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1276.00; 1294.00] |
|
|
| Inp | 1286.00 | NIST | |
| Inp | 1276.00 | NIST | |
| Inp | 1290.00 | NIST | |
| Inp | 1291.00 | NIST | |
| Inp | 1283.00 | NIST | |
| Inp | 1294.00 | NIST | |
| I | [1385.00; 1385.00] |
|
|
| I | 1385.00 | NIST | |
| I | 1385.00 | NIST | |
| Tboil | 488.75 | K | Relay (1.0) Calculated Property |
| Tc | 685.22 | K | Relay (1.0) Calculated Property |
| Tfus | 244.21 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Similar Compounds
Find more compounds similar to Hexanoic 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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