- InChI
- InChI=1S/C9H18O3Si/c1-7(2)6-8(10)9(11)12-13(3,4)5/h7H,6H2,1-5H3
- InChI Key
- MCPFMKJHOFUFFW-UHFFFAOYSA-N
- Formula
- C9H18O3Si
- SMILES
- CC(C)CC(=O)C(=O)O[Si](C)(C)C
- Molecular Weight1
- 202.32
- CAS
- 74367-71-8
- Other Names
-
- 4-Methyl-2-oxovaleric acid, trimethylsilyl ester
- 2-Ketoisocaproic acid, TMS ester
- 2-Ketoisocaproic acid, TMS # 1
- 2-Ketoisocaproic acid, tms 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 | 0.5484 | Relay (1.0) Calculated Property | |
| ΔfG° | -365.83 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -759.61 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 56.71 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.37 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.04 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.980 | Crippen Calculated Property | |
| Pc | 1751.70 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1115.20; 1129.00] |
|
|
| Inp | 1115.20 | NIST | |
| Inp | 1129.00 | NIST | |
| Tboil | 453.61 | K | Relay (1.0) Calculated Property |
| Tc | 630.47 | K | Relay (1.0) Calculated Property |
| Tfus | 247.82 | K | Relay (1.0) Calculated Property |
| Vc | 0.657 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2-Ketoisocaproic acid, trimethylsilyl 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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