- InChI
- InChI=1S/C11H24O3Si2/c1-8-10(13-15(2,3)4)9-11(12)14-16(5,6)7/h9H,8H2,1-7H3/b10-9-
- InChI Key
- JTLUJJMBZMUDAC-KTKRTIGZSA-N
- Formula
- C11H24O3Si2
- SMILES
-
CCC(=CC(=O)O[Si](C)(C)C)O[Si](
C)(C)C - Molecular Weight1
- 260.48
- CAS
- 98779-01-2
- Other Names
-
- 3-Oxovaleric acid, di(trimethylsilyl) deriv.
- Trimethylsilyl 3-[(trimethylsilyl)oxy]-2-pentenoate
- 3-Ketovaleric acid, enol, di-TMS
- 3-Ketovaleric acid, enol, di-TMS, #2
- 3-Ketovaleric acid, enol, di-TMS, #1
- 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 | 0.5660 | Relay (1.0) Calculated Property | |
| ΔfG° | -303.54 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -883.48 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 61.71 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.53 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.41 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.510 | Crippen Calculated Property | |
| Pc | 1329.79 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1283.00; 1304.00] |
|
|
| Inp | 1283.00 | NIST | |
| Inp | 1304.00 | NIST | |
| Inp | 1283.00 | NIST | |
| Inp | 1297.00 | NIST | |
| Inp | 1283.00 | NIST | |
| Tboil | 491.06 | K | Relay (1.0) Calculated Property |
| Tc | 649.66 | K | Relay (1.0) Calculated Property |
| Tfus | 256.45 | K | Relay (1.0) Calculated Property |
| Vc | 0.869 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 3-Ketovaleric acid, bis(trimethylsilyl)-.
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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