- InChI
- InChI=1S/C22H30O4Si2/c1-24-18-15-21(25-27(2,3)4)19(22(16-18)26-28(5,6)7)13-14-20(23)17-11-9-8-10-12-17/h8-16H,1-7H3/b14-13+
- InChI Key
- ZKLZWCOWYVFRIP-BUHFOSPRSA-N
- Formula
- C22H30O4Si2
- SMILES
-
COc1cc(O[Si](C)(C)C)c(C=CC(=O)
c2ccccc2)c(O[Si](C)(C)C)c1 - Molecular Weight1
- 414.64
- Other Names
-
- Chalcone, 2',6'-dihydroxy-4'-methoxy, TMS
- 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 | 0.8357 | Relay (... Calculated Property | |
| ΔfG° | -121.02 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -690.42 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 99.04 | kJ/mol | Relay (... Calculated Property |
| IE | 8.23 | eV | Relay (... Calculated Property |
| log10WS | -5.28 | Relay (... Calculated Property | |
| logPoct/wat | 6.019 | Crippen Calculated Property | |
| Pc | 536.73 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2453.00; 2469.00] |
|
|
| Inp | 2469.00 | NIST | |
| Inp | 2453.00 | NIST | |
| Tboil | 674.71 | K | Relay (... Calculated Property |
| Tc | 914.62 | K | Relay (... Calculated Property |
| Tfus | 389.27 | K | Relay (... Calculated Property |
| Vc | 1.243 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Chalcone, 2',6'-dihydroxy-4'-methoxy, bis-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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