- InChI
- InChI=1S/C14H30O3Si2/c1-9-10-13(14(15)17-19(6,7)8)11-12(2)16-18(3,4)5/h11,13H,9-10H2,1-8H3/b12-11-
- InChI Key
- GREILMJVGXHZDZ-QXMHVHEDSA-N
- Formula
- C14H30O3Si2
- SMILES
-
CCCC(C=C(C)O[Si](C)(C)C)C(=O)O
[Si](C)(C)C - Molecular Weight1
- 302.56
- 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 | 0.5797 | Relay (1.0) Calculated Property | |
| ΔfG° | -270.51 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -913.12 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 65.42 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.96 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.20 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.536 | Crippen Calculated Property | |
| Pc | 1023.63 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1291.00; 1291.00] |
|
|
| Inp | 1291.00 | NIST | |
| Inp | 1291.00 | NIST | |
| Tboil | 504.99 | K | Relay (1.0) Calculated Property |
| Tc | 674.36 | K | Relay (1.0) Calculated Property |
| Tfus | 260.66 | K | Relay (1.0) Calculated Property |
| Vc | 1.013 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Pentanoic acid, 4-oxo-2-propyl, 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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