- InChI
- InChI=1S/C15H18F5NO3Si/c1-7(2)14(15(22)24-25(3,4)5)21-23-6-8-9(16)11(18)13(20)12(19)10(8)17/h7H,6H2,1-5H3
- InChI Key
- CEGBIHRCNHPYPQ-UHFFFAOYSA-N
- Formula
- C15H18F5NO3Si
- SMILES
-
CC(C)C(=NOCc1c(F)c(F)c(F)c(F)c
1F)C(=O)O[Si](C)(C)C - Molecular Weight1
- 383.39
- Other Names
-
- Isovaleric acid, 2-oxo, O-pentafluorobenzyloxime, TMS
- 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 | 0.8032 | Relay (1.0) Calculated Property | |
| ΔfG° | -883.40 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1276.38 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 77.35 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.96 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.90 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.289 | Crippen Calculated Property | |
| Pc | 1173.26 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1537.00; 1556.00] |
|
|
| Inp | 1537.00 | NIST | |
| Inp | 1556.00 | NIST | |
| Inp | 1537.00 | NIST | |
| Tboil | 547.62 | K | Relay (1.0) Calculated Property |
| Tc | 726.49 | K | Relay (1.0) Calculated Property |
| Tfus | 327.17 | K | Relay (1.0) Calculated Property |
| Vc | 0.947 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 3-Methyl-2-ketobutyric acid pfbo-tms.
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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