- InChI
- InChI=1S/C17H27NO3Si/c1-13(19)18-15(12-14-10-8-7-9-11-14)16(20)21-22(5,6)17(2,3)4/h7-11,15H,12H2,1-6H3,(H,18,19)
- InChI Key
- VINKUEAJNUHJPG-UHFFFAOYSA-N
- Formula
- C17H27NO3Si
- SMILES
-
CC(=O)NC(Cc1ccccc1)C(=O)O[Si](
C)(C)C(C)(C)C - Molecular Weight1
- 321.49
- Other Names
-
- tert-Butyl(dimethyl)silyl N-acetylphenylalaninate
- N-acetyl-l-phenylalanine, tbdms derivative
- 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 | 0.6618 | Relay (1.0) Calculated Property | |
| ΔfG° | -111.69 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -682.29 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 88.96 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.80 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.16 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.282 | Crippen Calculated Property | |
| Pc | 1584.72 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2052.30 | NIST | |
| Tboil | 595.98 | K | Relay (1.0) Calculated Property |
| Tc | 841.15 | K | Relay (1.0) Calculated Property |
| Tfus | 349.35 | K | Relay (1.0) Calculated Property |
| Vc | 0.954 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to N-Acetyl-L-phenylalanine, tert-butyldimethylsilyl 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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