- InChI
- InChI=1S/C8H16O3Si/c1-7(9)5-6-8(10)11-12(2,3)4/h5-6H2,1-4H3
- InChI Key
- SKSOOBJAPLSIMV-UHFFFAOYSA-N
- Formula
- C8H16O3Si
- SMILES
- CC(=O)CCC(=O)O[Si](C)(C)C
- Molecular Weight1
- 188.30
- CAS
- 55557-12-5
- Other Names
-
- Laevulic acid, trimethylsilyl ester
- Laevulinic acid TMS
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| IE | 9.82 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.734 | Crippen Calculated Property | |
| Inp | [1119.00; 1130.10] |
|
|
| Inp | 1130.10 | NIST | |
| Inp | 1119.00 | NIST | |
| Inp | 1130.10 | NIST | |
| Inp | 1119.00 | NIST | |
| Tboil | 474.47 | K | Relay (1.0) Calculated Property |
| Tfus | 251.44 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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 Pentanoic acid, 4-oxo-, 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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