- InChI
- InChI=1S/C18H18O4Si/c1-23(2,3)22-13-9-14(19)18-15(20)11-16(21-17(18)10-13)12-7-5-4-6-8-12/h4-11,19H,1-3H3
- InChI Key
- KNSJFFBZGDMNLU-UHFFFAOYSA-N
- Formula
- C18H18O4Si
- SMILES
-
C[Si](C)(C)Oc1cc(O)c2c(=O)cc(-
c3ccccc3)oc2c1 - Molecular Weight1
- 326.42
- Other Names
-
- Chrysin (5,7-dihydroxyflavone), monoTMS
- 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 | 0.8105 | Relay (... Calculated Property | |
| ΔfG° | -170.34 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -525.97 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 122.52 | kJ/mol | Relay (... Calculated Property |
| IE | 8.08 | eV | Relay (... Calculated Property |
| log10WS | -5.09 | Relay (... Calculated Property | |
| logPoct/wat | 4.379 | Crippen Calculated Property | |
| Pc | 1689.03 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2589.00; 2644.00] |
|
|
| Inp | 2644.00 | NIST | |
| Inp | 2589.00 | NIST | |
| Inp | 2616.00 | NIST | |
| Inp | 2644.00 | NIST | |
| Tboil | 685.97 | K | Relay (... Calculated Property |
| Tc | 982.88 | K | Relay (... Calculated Property |
| Tfus | 467.44 | K | Relay (... Calculated Property |
| Vc | 0.913 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Flavone, 5,7-dihydroxy, mono-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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