- InChI
- InChI=1S/C15H33N3O2Si3/c1-21(2,3)17-14(15(19)20-23(7,8)9)10-13-11-18(12-16-13)22(4,5)6/h11-12,14,17H,10H2,1-9H3/t14-/m0/s1
- InChI Key
- MEFLGORIMZDUEG-AWEZNQCLSA-N
- Formula
- C15H33N3O2Si3
- SMILES
-
C[Si](C)(C)NC(Cc1cn([Si](C)(C)
C)cn1)C(=O)O[Si](C)(C)C - Molecular Weight1
- 371.70
- CAS
- 17908-25-7
- Other Names
-
- Histidine, N,1-bis-(trimethylsilyl)-, trimethylsilyl ester
- N,N',o-Tris-(trimethylsilyl)histidine
- Imidazole-4-alanine, N,1-bis(trimethylsilyl)-, trimethylsilyl ester, L-
- Histidine, tri-TMS
- HIS, tris-TMS
- His, TMS
- Histidine, 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.
- I : 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 | 0.7016 | Relay (... Calculated Property | |
| ΔfG° | 60.91 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -687.13 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 83.98 | kJ/mol | Relay (... Calculated Property |
| IE | 8.55 | eV | Relay (... Calculated Property |
| log10WS | -2.38 | Relay (... Calculated Property | |
| logPoct/wat | 3.280 | Crippen Calculated Property | |
| Pc | 758.60 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [1914.00; 1947.08] |
|
|
| Inp | 1916.60 | NIST | |
| Inp | 1921.05 | NIST | |
| Inp | 1942.25 | NIST | |
| Inp | 1941.81 | NIST | |
| Inp | 1920.38 | NIST | |
| Inp | 1947.08 | NIST | |
| Inp | 1914.00 | NIST | |
| Inp | 1914.00 | NIST | |
| Inp | 1914.00 | NIST | |
| Inp | 1916.60 | NIST | |
| Inp | 1947.08 | NIST | |
| I | [2293.85; 2293.85] |
|
|
| I | 2293.85 | NIST | |
| I | 2293.85 | NIST | |
| Tboil | 571.73 | K | Relay (... Calculated Property |
| Tc | 807.72 | K | Relay (... Calculated Property |
| Tfus | 347.18 | K | Relay (... Calculated Property |
| Vc | 1.203 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to L-Histidine, N,1-bis(trimethylsilyl)-, 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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