- InChI
- InChI=1S/C14H30O2Si/c1-7-8-9-10-11-12-13(15)16-17(5,6)14(2,3)4/h7-12H2,1-6H3
- InChI Key
- FLZPUMRVXOBSIN-UHFFFAOYSA-N
- Formula
- C14H30O2Si
- SMILES
-
CCCCCCCC(=O)O[Si](C)(C)C(C)(C)
C - Molecular Weight1
- 258.47
- CAS
- 104255-72-3
- Other Names
-
- Octanoic acid, DMTBS
- Octanoic acid, TBDMS
- Caprylic acid, TBDMS
- Caprylic acid, DMTBS
- tert-Butyl(dimethyl)silyl octanoate
- Octanoic 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 | 0.6538 | Relay (1.0) Calculated Property | |
| ΔfG° | -198.83 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -742.87 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 63.20 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.61 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.23 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.895 | Crippen Calculated Property | |
| Pc | 1576.76 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1446.00; 1487.70] |
|
|
| Inp | 1487.70 | NIST | |
| Inp | 1482.00 | NIST | |
| Inp | 1446.00 | NIST | |
| Inp | 1486.00 | NIST | |
| Inp | 1465.00 | NIST | |
| Inp | 1446.00 | NIST | |
| Inp | 1487.70 | NIST | |
| I | [1582.00; 1582.00] |
|
|
| I | 1582.00 | NIST | |
| I | 1582.00 | NIST | |
| Tboil | 516.13 | K | Relay (1.0) Calculated Property |
| Tc | 708.10 | K | Relay (1.0) Calculated Property |
| Tfus | 259.24 | K | Relay (1.0) Calculated Property |
| Vc | 0.899 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Octanoic 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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