- InChI
- InChI=1S/C14H16F5NO3Si/c1-5-8(14(21)23-24(2,3)4)20-22-6-7-9(15)11(17)13(19)12(18)10(7)16/h5-6H2,1-4H3
- InChI Key
- PDCPSDWZTDHPMJ-UHFFFAOYSA-N
- Formula
- C14H16F5NO3Si
- SMILES
-
CCC(=NOCc1c(F)c(F)c(F)c(F)c1F)
C(=O)O[Si](C)(C)C - Molecular Weight1
- 369.36
- Other Names
-
- Butanoic 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 | 0.7962 | Relay (1.0) Calculated Property | |
| ΔfG° | -889.97 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1258.78 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 78.80 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.97 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.63 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.043 | Crippen Calculated Property | |
| Pc | 1284.37 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1536.00; 1536.00] |
|
|
| Inp | 1536.00 | NIST | |
| Inp | 1536.00 | NIST | |
| Tboil | 549.92 | K | Relay (1.0) Calculated Property |
| Tc | 720.67 | K | Relay (1.0) Calculated Property |
| Tfus | 319.91 | K | Relay (1.0) Calculated Property |
| Vc | 0.896 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 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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