- InChI
- InChI=1S/C12H25NO5Si2/c1-9(14)13-10(12(16)18-20(5,6)7)8-11(15)17-19(2,3)4/h10H,8H2,1-7H3,(H,13,14)
- InChI Key
- ATJCPJZSHSEVIW-UHFFFAOYSA-N
- Formula
- C12H25NO5Si2
- SMILES
-
CC(=O)NC(CC(=O)O[Si](C)(C)C)C(
=O)O[Si](C)(C)C - Molecular Weight1
- 319.50
- Other Names
-
- N-Acetylaspartic acid, diTMS
- N-Acetylaspartic acid, bis-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.
- 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 | 0.7081 | Relay (... Calculated Property | |
| ΔfG° | -500.00 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1261.65 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 74.21 | kJ/mol | Relay (... Calculated Property |
| IE | 9.40 | eV | Relay (... Calculated Property |
| log10WS | -1.85 | Relay (... Calculated Property | |
| logPoct/wat | 1.637 | Crippen Calculated Property | |
| Pc | 1203.06 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [1640.00; 1708.00] |
|
|
| Inp | 1640.00 | NIST | |
| Inp | 1671.00 | NIST | |
| Inp | 1708.00 | NIST | |
| Inp | 1708.00 | NIST | |
| Inp | 1640.00 | NIST | |
| Tboil | 538.14 | K | Relay (... Calculated Property |
| Tc | 731.64 | K | Relay (... Calculated Property |
| Tfus | 340.83 | K | Relay (... Calculated Property |
| Vc | 0.975 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to ACETYLASPARTIC ACID diTMS.
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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