- InChI
- InChI=1S/C12H13F3O4Si/c1-20(2,3)19-10(16)8-6-4-5-7-9(8)18-11(17)12(13,14)15/h4-7H,1-3H3
- InChI Key
- KFRZFSWWSFVWHS-UHFFFAOYSA-N
- Formula
- C12H13F3O4Si
- SMILES
-
C[Si](C)(C)OC(=O)c1ccccc1OC(=O
)C(F)(F)F - Molecular Weight1
- 306.31
- 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 | 0.6186 | Relay (... Calculated Property | |
| ΔfG° | -946.49 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1394.24 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 67.65 | kJ/mol | Relay (... Calculated Property |
| IE | 9.43 | eV | Relay (... Calculated Property |
| log10WS | -3.09 | Relay (... Calculated Property | |
| logPoct/wat | 3.146 | Crippen Calculated Property | |
| Pc | 1465.94 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [1347.00; 1347.00] |
|
|
| Inp | 1347.00 | NIST | |
| Inp | 1347.00 | NIST | |
| Tboil | 513.47 | K | Relay (... Calculated Property |
| Tc | 687.47 | K | Relay (... Calculated Property |
| Tfus | 284.97 | K | Relay (... Calculated Property |
| Vc | 0.745 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 2-trifluoroacetyloxy-, 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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