- InChI
- InChI=1S/C9H20N2O3Si/c1-7(10)9(13)11-6-5-8(12)14-15(2,3)4/h7H,5-6,10H2,1-4H3,(H,11,13)
- InChI Key
- VMLAKHNLMHWGIZ-UHFFFAOYSA-N
- Formula
- C9H20N2O3Si
- SMILES
- CC(N)C(=O)NCCC(=O)O[Si](C)(C)C
- Molecular Weight1
- 232.35
- Other Names
-
- Trimethylsilyl l-alanylalaninate
- Alanyl-«beta»-alanine, 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 | 0.6673 | Relay (... Calculated Property | |
| ΔfG° | -251.50 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -788.62 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 72.84 | kJ/mol | Relay (... Calculated Property |
| IE | 8.67 | eV | Relay (... Calculated Property |
| log10WS | -0.82 | Relay (... Calculated Property | |
| logPoct/wat | 0.218 | Crippen Calculated Property | |
| Pc | 1747.24 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [1592.00; 1592.00] |
|
|
| Inp | 1592.00 | NIST | |
| Inp | 1592.00 | NIST | |
| Tboil | 530.99 | K | Relay (... Calculated Property |
| Tc | 717.53 | K | Relay (... Calculated Property |
| Tfus | 384.08 | K | Relay (... Calculated Property |
| Vc | 0.710 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Ala-«beta»-Ala, 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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