- InChI
- InChI=1S/C12H27NO3Si2/c1-8-9-10-11(13-16-18(5,6)7)12(14)15-17(2,3)4/h8-10H2,1-7H3
- InChI Key
- BTTUPQZJICJRCZ-UHFFFAOYSA-N
- Formula
- C12H27NO3Si2
- SMILES
-
CCCCC(=NO[Si](C)(C)C)C(=O)O[Si
](C)(C)C - Molecular Weight1
- 289.52
- Other Names
-
- 2-Ketocaproic acid, oxime, bis-TMS
- 2-Oxohexanoic acid, oxime, bis-TMS
- 2-Ketocaproic acid, oxime, TMS
- 2-Hydroxyiminohexanoic acid, 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 | 0.7159 | Relay (1.0) Calculated Property | |
| ΔfG° | -179.10 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -741.55 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 63.42 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.97 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.20 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.762 | Crippen Calculated Property | |
| Pc | 1111.51 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1331.00; 1332.00] |
|
|
| Inp | 1332.00 | NIST | |
| Inp | 1331.00 | NIST | |
| Inp | 1332.00 | NIST | |
| Inp | 1332.00 | NIST | |
| Tboil | 519.59 | K | Relay (1.0) Calculated Property |
| Tc | 677.07 | K | Relay (1.0) Calculated Property |
| Tfus | 265.26 | K | Relay (1.0) Calculated Property |
| Vc | 0.977 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2-Ketohexanoic acid ho-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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