- InChI
- InChI=1S/C9H18O4Si/c1-14(2,3)13-9(12)7-5-4-6-8(10)11/h4-7H2,1-3H3,(H,10,11)
- InChI Key
- NXRUXRPNYSMFBT-UHFFFAOYSA-N
- Formula
- C9H18O4Si
- SMILES
- C[Si](C)(C)OC(=O)CCCCC(=O)O
- Molecular Weight1
- 218.32
- Other Names
-
- 6-Oxo-6-[(trimethylsilyl)oxy]hexanoic acid
- Adipic acid, tms derivative
- 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 | 0.8162 | Relay (... Calculated Property | |
| ΔfG° | -498.64 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1005.45 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 86.07 | kJ/mol | Relay (... Calculated Property |
| IE | 10.07 | eV | Relay (... Calculated Property |
| log10WS | -0.96 | Relay (... Calculated Property | |
| logPoct/wat | 2.010 | Crippen Calculated Property | |
| Pc | 1822.30 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [1413.10; 1413.10] |
|
|
| Inp | 1413.10 | NIST | |
| Inp | 1413.10 | NIST | |
| Tboil | 534.37 | K | Relay (... Calculated Property |
| Tc | 698.01 | K | Relay (... Calculated Property |
| Tfus | 329.80 | K | Relay (... Calculated Property |
| Vc | 0.671 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Adipic acid, trimethylsilyl ester.
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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