- InChI
- InChI=1S/C12H25NO3Si/c1-9(2)10(13-15-6)11(14)16-17(7,8)12(3,4)5/h9H,1-8H3
- InChI Key
- NRDONGGIXSHQCH-UHFFFAOYSA-N
- Formula
- C12H25NO3Si
- SMILES
-
CON=C(C(=O)O[Si](C)(C)C(C)(C)C
)C(C)C - Molecular Weight1
- 259.42
- 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 | 0.6293 | Relay (1.0) Calculated Property | |
| ΔfG° | -137.17 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -626.75 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 61.93 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.82 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.67 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.193 | Crippen Calculated Property | |
| Pc | 1648.05 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1332.00; 1332.00] |
|
|
| Inp | 1332.00 | NIST | |
| Inp | 1332.00 | NIST | |
| Tboil | 500.83 | K | Relay (1.0) Calculated Property |
| Tc | 695.59 | K | Relay (1.0) Calculated Property |
| Tfus | 304.72 | K | Relay (1.0) Calculated Property |
| Vc | 0.808 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2-Ketoisovaleric acid, MO TBDMS # 2.
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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