- InChI
- InChI=1S/C13H30N2O4Si2/c1-9(14)12(16)15-11(10(2)18-20(3,4)5)13(17)19-21(6,7)8/h9-11H,14H2,1-8H3,(H,15,16)
- InChI Key
- YEBXROIYQYJSSV-UHFFFAOYSA-N
- Formula
- C13H30N2O4Si2
- SMILES
-
CC(N)C(O)=NC(C(=O)O[Si](C)(C)C
)C(C)O[Si](C)(C)C - Molecular Weight1
- 334.56
- Other Names
-
- Alanylthreonine, 2tms 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 | 0.8257 | Relay (... Calculated Property | |
| ΔfG° | -309.36 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1072.86 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 90.27 | kJ/mol | Relay (... Calculated Property |
| IE | 8.70 | eV | Relay (... Calculated Property |
| log10WS | -1.08 | Relay (... Calculated Property | |
| logPoct/wat | 2.277 | Crippen Calculated Property | |
| Pc | 1173.56 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [1723.30; 1723.30] |
|
|
| Inp | 1723.30 | NIST | |
| Inp | 1723.30 | NIST | |
| Tboil | 572.70 | K | Relay (... Calculated Property |
| Tc | 734.08 | K | Relay (... Calculated Property |
| Tfus | 398.88 | K | Relay (... Calculated Property |
| Vc | 1.026 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Ala-Thr, trimethylsilyl ether, 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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