- InChI
- InChI=1S/C12H24O5Si2/c1-18(2,3)16-11(14)8-7-10(13)9-12(15)17-19(4,5)6/h7-9H2,1-6H3
- InChI Key
- DOEYEWCTCLMKDV-UHFFFAOYSA-N
- Formula
- C12H24O5Si2
- SMILES
-
C[Si](C)(C)OC(=O)CCC(=O)CC(=O)
O[Si](C)(C)C - Molecular Weight1
- 304.49
- 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 | 0.7062 | Relay (1.0) Calculated Property | |
| ΔfG° | -543.81 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1248.44 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 71.22 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.68 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.86 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.482 | Crippen Calculated Property | |
| Pc | 1278.94 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 1709.00 | NIST | |
| Tboil | 534.77 | K | Relay (1.0) Calculated Property |
| Tc | 710.40 | K | Relay (1.0) Calculated Property |
| Tfus | 319.34 | K | Relay (1.0) Calculated Property |
| Vc | 0.950 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 3-Ketoadipic acid, TMS # 1.
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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