- InChI
- InChI=1S/C16H26O2Si/c1-12(2)11-14-7-9-15(10-8-14)13(3)16(17)18-19(4,5)6/h7-10,12-13H,11H2,1-6H3
- InChI Key
- YCAAUQGUAZTIAV-UHFFFAOYSA-N
- Formula
- C16H26O2Si
- SMILES
-
CC(C)Cc1ccc(C(C)C(=O)O[Si](C)(
C)C)cc1 - Molecular Weight1
- 278.46
- CAS
- 74810-89-2
- Other Names
-
- Monotrimethylsilyl derivative of Ibuprofen
- 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).
- 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 | 0.6069 | Relay (1.0) Calculated Property | |
| ΔfG° | -118.30 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -608.77 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 74.44 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.77 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.25 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.367 | Crippen Calculated Property | |
| Pc | 1317.44 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 556.84 | K | Relay (1.0) Calculated Property |
| Tc | 756.49 | K | Relay (1.0) Calculated Property |
| Tfus | 286.19 | K | Relay (1.0) Calculated Property |
| Vc | 0.912 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
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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