- 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.
- 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.
- I : 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 | 0.5761 | Relay (1.0) Calculated Property | |
| ΔfG° | -216.40 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -705.06 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 56.72 | 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 | 1808.92 | 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 | 679.36 | K | Relay (1.0) Calculated Property |
| Tfus | 253.79 | K | Relay (1.0) Calculated Property |
| Vc | 0.784 | m3/kmol | Relay (1.0) Calculated Property |
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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