- InChI
- InChI=1S/C15H33NO5Si3/c1-22(2,3)19-14(17)12-10-11-13(16-21-24(7,8)9)15(18)20-23(4,5)6/h10-12H2,1-9H3
- InChI Key
- HUDNSTCQNYJCQY-UHFFFAOYSA-N
- Formula
- C15H33NO5Si3
- SMILES
-
C[Si](C)(C)ON=C(CCCC(=O)O[Si](
C)(C)C)C(=O)O[Si](C)(C)C - Molecular Weight1
- 391.68
- CAS
- 59-78-9
- Other Names
-
- 2-Oxohexanedioic acid, oxime, tris-TMS
- 2-Ketoadipic acid, oxime, TMS
- oximated 2-keto-adipic acid, triTMS
- 2-Ketoadipic acid, oxime, tris-TMS
- Hexanedioic acid, «alpha»-keto oxime, (trimethylsilyl)-
- 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 | 0.8832 | Relay (1.0) Calculated Property | |
| ΔfG° | -373.78 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1201.26 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 73.21 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.06 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.98 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.120 | Crippen Calculated Property | |
| Pc | 646.38 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1707.00; 1732.00] |
|
|
| Inp | 1717.00 | NIST | |
| Inp | 1724.00 | NIST | |
| Inp | 1732.00 | NIST | |
| Inp | 1717.00 | NIST | |
| Inp | 1721.00 | NIST | |
| Inp | 1707.00 | NIST | |
| Inp | 1721.00 | NIST | |
| Tboil | 566.39 | K | Relay (1.0) Calculated Property |
| Tc | 731.91 | K | Relay (1.0) Calculated Property |
| Tfus | 302.01 | K | Relay (1.0) Calculated Property |
| Vc | 1.277 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2-Ketoadipic acid, oxime, tri-TMS.
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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