- InChI
- InChI=1S/C22H30O5Si2/c1-24-17-12-20-22(21(13-17)27-29(5,6)7)18(23)14-19(25-20)15-8-10-16(11-9-15)26-28(2,3)4/h8-13,19H,14H2,1-7H3
- InChI Key
- JQRKEUQHRRUNLY-UHFFFAOYSA-N
- Formula
- C22H30O5Si2
- SMILES
-
COc1cc2c(c(O[Si](C)(C)C)c1)C(=
O)CC(c1ccc(O[Si](C)(C)C)cc1)O2 - Molecular Weight1
- 430.64
- Other Names
-
- Sakuranetin, 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 | 0.8673 | Relay (... Calculated Property | |
| ΔfG° | -278.98 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -880.87 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 101.63 | kJ/mol | Relay (... Calculated Property |
| IE | 8.05 | eV | Relay (... Calculated Property |
| log10WS | -5.55 | Relay (... Calculated Property | |
| logPoct/wat | 5.829 | Crippen Calculated Property | |
| Pc | 486.51 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2818.00; 2818.00] |
|
|
| Inp | 2818.00 | NIST | |
| Inp | 2818.00 | NIST | |
| Tboil | 695.22 | K | Relay (... Calculated Property |
| Tc | 967.02 | K | Relay (... Calculated Property |
| Tfus | 389.07 | K | Relay (... Calculated Property |
| Vc | 1.281 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Flavanone, 5,4'-dihydroxy-7-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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