- InChI
- InChI=1S/C22H26O4Si/c1-24-20-14-12-19(17-21(20)26-27(2,3)4)13-15-22(23)25-16-8-11-18-9-6-5-7-10-18/h5-15,17H,16H2,1-4H3/b11-8+,15-13-
- InChI Key
- JKCHAFAFVVJTEW-FYIWHTENSA-N
- Formula
- C22H26O4Si
- SMILES
-
COc1ccc(C=CC(=O)OCC=Cc2ccccc2)
cc1O[Si](C)(C)C - Molecular Weight1
- 382.52
- 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 | 0.7861 | Relay (... Calculated Property | |
| ΔfG° | -61.15 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -548.51 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 108.72 | kJ/mol | Relay (... Calculated Property |
| IE | 8.00 | eV | Relay (... Calculated Property |
| log10WS | -5.16 | Relay (... Calculated Property | |
| logPoct/wat | 5.179 | Crippen Calculated Property | |
| Pc | 895.52 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 2662.00 | NIST | |
| Tboil | 686.76 | K | Relay (... Calculated Property |
| Tc | 913.76 | K | Relay (... Calculated Property |
| Tfus | 396.99 | K | Relay (... Calculated Property |
| Vc | 1.087 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to (E)-Cinnamyl (Z)-isoferulate, 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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