- InChI
- InChI=1S/C16H24O5Si/c1-5-20-16(19)11-8-12(17)14(13(18)9-11)15(10-6-7-10)21-22(2,3)4/h10-11H,5-9H2,1-4H3/b15-14-
- InChI Key
- UBXHULUUERAXPD-PFONDFGASA-N
- Formula
- C16H24O5Si
- SMILES
-
CCOC(=O)C1CC(=O)C(=C(O[Si](C)(
C)C)C2CC2)C(=O)C1 - Molecular Weight1
- 324.44
- Other Names
-
- Trinexapac-ethyl, 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 | 0.6875 | Relay (1.0) Calculated Property | |
| ΔfG° | -477.91 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -998.37 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 75.49 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.25 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.04 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.613 | Crippen Calculated Property | |
| Pc | 1051.64 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2138.90 | NIST | |
| Tboil | 607.55 | K | Relay (1.0) Calculated Property |
| Tc | 820.04 | K | Relay (1.0) Calculated Property |
| Tfus | 366.90 | K | Relay (1.0) Calculated Property |
| Vc | 0.937 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Trinexapac-ethyl, trimethylsilyl ether.
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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