- InChI
- InChI=1S/C14H18F3NO3Si/c1-22(2,3)21-12(19)11(18-13(20)14(15,16)17)9-10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,18,20)
- InChI Key
- MRVDKKCSXVEZMU-UHFFFAOYSA-N
- Formula
- C14H18F3NO3Si
- SMILES
-
C[Si](C)(C)OC(=O)C(Cc1ccccc1)N
C(=O)C(F)(F)F - Molecular Weight1
- 333.38
- CAS
- 52558-84-6
- Other Names
-
- Trimethylsilyl 3-phenyl-2-[(trifluoroacetyl)amino]propanoate, L-
- Phenylalanine, N-TFA-O-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 | 0.5923 | Relay (1.0) Calculated Property | |
| ΔfG° | -725.94 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1255.21 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 81.49 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.41 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.82 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.654 | Crippen Calculated Property | |
| Pc | 1311.01 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 1578.00 | NIST | |
| Tboil | 551.69 | K | Relay (1.0) Calculated Property |
| Tc | 735.69 | K | Relay (1.0) Calculated Property |
| Tfus | 341.48 | K | Relay (1.0) Calculated Property |
| Vc | 0.840 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to l-Phenylalanine, 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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