- InChI
- InChI=1S/C8H16O3Si/c1-5-7(9)6-8(10)11-12(2,3)4/h5-6H2,1-4H3
- InChI Key
- BOPHYICVYUYPGN-UHFFFAOYSA-N
- Formula
- C8H16O3Si
- SMILES
- CCC(=O)CC(=O)O[Si](C)(C)C
- Molecular Weight1
- 188.30
- Other Names
-
- 3-Ketovaleric acid, 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 | 0.4985 | Relay (1.0) Calculated Property | |
| ΔfG° | -362.02 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -783.64 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 55.99 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.56 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.02 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.734 | Crippen Calculated Property | |
| Pc | 1996.18 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1272.00; 1286.00] |
|
|
| Inp | 1286.00 | NIST | |
| Inp | 1272.00 | NIST | |
| Tboil | 466.28 | K | Relay (1.0) Calculated Property |
| Tc | 639.14 | K | Relay (1.0) Calculated Property |
| Tfus | 265.33 | K | Relay (1.0) Calculated Property |
| Vc | 0.592 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 3-Oxopentanoic acid, 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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