- InChI
- InChI=1S/C20H40N2O8Si3/c1-14(23)21-16(13-18(25)29-32(5,6)7)19(26)22-15(20(27)30-33(8,9)10)11-12-17(24)28-31(2,3)4/h15-16H,11-13H2,1-10H3,(H,21,23)(H,22,26)
- InChI Key
- AXTJSBBPEHHGTC-UHFFFAOYSA-N
- Formula
- C20H40N2O8Si3
- SMILES
-
CC(O)=NC(CC(=O)O[Si](C)(C)C)C(
O)=NC(CCC(=O)O[Si](C)(C)C)C(=O )O[Si](C)(C)C - Molecular Weight1
- 520.80
- Other Names
-
- (S)-Bis(trimethylsilyl) 2-((S)-2-acetamido-4-oxo-4-[(trimethylsilyl)oxy]butanamido)pentanedioate
- (S)-Bis(trimethylsilyl) 2-{(S)-2-acetamido-4-oxo-4-[(trimethylsilyl)oxy]butanamido}pentanedioate
- 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 | 1.2170 | Relay (1.0) Calculated Property | |
| ΔfG° | -675.97 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1920.20 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 118.10 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.87 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.19 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.961 | Crippen Calculated Property | |
| Pc | 365.10 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2556.00; 2556.00] |
|
|
| Inp | 2556.00 | NIST | |
| Inp | 2556.00 | NIST | |
| Tboil | 642.26 | K | Relay (1.0) Calculated Property |
| Tc | 852.93 | K | Relay (1.0) Calculated Property |
| Tfus | 354.04 | K | Relay (1.0) Calculated Property |
| Vc | 1.530 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to N-Acetylaspartylglutamic acid, tris(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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