- InChI
- InChI=1S/C12H14F3NO3Si/c1-20(2,3)19-10(17)8-5-4-6-9(7-8)16-11(18)12(13,14)15/h4-7H,1-3H3,(H,16,18)
- InChI Key
- IGYXVYOYCINGLY-UHFFFAOYSA-N
- Formula
- C12H14F3NO3Si
- SMILES
-
C[Si](C)(C)OC(=O)c1cccc(NC(=O)
C(F)(F)F)c1 - Molecular Weight1
- 305.33
- 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 | 0.6388 | Relay (... Calculated Property | |
| ΔfG° | -769.71 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1241.78 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 75.17 | kJ/mol | Relay (... Calculated Property |
| IE | 9.07 | eV | Relay (... Calculated Property |
| log10WS | -3.02 | Relay (... Calculated Property | |
| logPoct/wat | 3.179 | Crippen Calculated Property | |
| Pc | 1677.57 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [1631.00; 1631.00] |
|
|
| Inp | 1631.00 | NIST | |
| Inp | 1631.00 | NIST | |
| Tboil | 554.26 | K | Relay (... Calculated Property |
| Tc | 748.89 | K | Relay (... Calculated Property |
| Tfus | 364.99 | K | Relay (... Calculated Property |
| Vc | 0.746 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 3-Aminobenzoic acid, N-trifluoroacetyl-, 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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