- InChI
- InChI=1S/C13H14F5NO3Si/c1-23(2,3)22-10(20)8-4-6-9(7-5-8)19-11(21)12(14,15)13(16,17)18/h4-7H,1-3H3,(H,19,21)
- InChI Key
- ZRKGFXPLGMPQDP-UHFFFAOYSA-N
- Formula
- C13H14F5NO3Si
- SMILES
-
C[Si](C)(C)OC(=O)c1ccc(NC(=O)C
(F)(F)C(F)(F)F)cc1 - Molecular Weight1
- 355.33
- 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 | 0.6899 | Relay (... Calculated Property | |
| ΔfG° | -1177.22 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1697.34 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 79.73 | kJ/mol | Relay (... Calculated Property |
| IE | 9.08 | eV | Relay (... Calculated Property |
| log10WS | -4.39 | Relay (... Calculated Property | |
| logPoct/wat | 3.814 | Crippen Calculated Property | |
| Pc | 1485.15 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [1643.00; 1643.00] |
|
|
| Inp | 1643.00 | NIST | |
| Inp | 1643.00 | NIST | |
| Tboil | 551.68 | K | Relay (... Calculated Property |
| Tc | 731.47 | K | Relay (... Calculated Property |
| Tfus | 368.67 | K | Relay (... Calculated Property |
| Vc | 0.815 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 4-Aminobenzoic acid, N-pentafluoropropionyl-, 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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