- InChI
- InChI=1S/C11H20F3NO3Si/c1-6-7(2)8(9(16)18-19(3,4)5)15-10(17)11(12,13)14/h7-8H,6H2,1-5H3,(H,15,17)/t7-,8-/m1/s1
- InChI Key
- PJGCYZHBTYCJIE-HTQZYQBOSA-N
- Formula
- C11H20F3NO3Si
- SMILES
-
CCC(C)C(NC(=O)C(F)(F)F)C(=O)O[
Si](C)(C)C - Molecular Weight1
- 299.36
- CAS
- 52558-83-5
- Other Names
-
- Trimethylsilyl 3-methyl-2-[(trifluoroacetyl)amino]pentanoate
- L-isoleucine, n-trifluoroacetyl-, tms 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 | 0.5537 | Relay (1.0) Calculated Property | |
| ΔfG° | -851.43 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1457.44 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 64.16 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.76 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.40 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.458 | Crippen Calculated Property | |
| Pc | 1380.01 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1242.50; 1242.50] |
|
|
| Inp | 1242.50 | NIST | |
| Inp | 1242.50 | NIST | |
| Tboil | 476.38 | K | Relay (1.0) Calculated Property |
| Tc | 633.08 | K | Relay (1.0) Calculated Property |
| Tfus | 328.23 | K | Relay (1.0) Calculated Property |
| Vc | 0.774 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to l-Isoleucine, 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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