- InChI
- InChI=1S/C21H28O4Si2/c1-26(2,3)24-16-12-19-21(20(13-16)25-27(4,5)6)17(22)14-18(23-19)15-10-8-7-9-11-15/h7-13,18H,14H2,1-6H3
- InChI Key
- GEFWTBJOQNFPFG-UHFFFAOYSA-N
- Formula
- C21H28O4Si2
- SMILES
-
C[Si](C)(C)Oc1cc2c(c(O[Si](C)(
C)C)c1)C(=O)CC(c1ccccc1)O2 - Molecular Weight1
- 400.62
- Other Names
-
- Pinocembrin, TMS
- Flavanone, 5,7-dihydroxy, bis-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 | 0.7652 | Relay (... Calculated Property | |
| ΔfG° | -180.05 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -731.30 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 95.85 | kJ/mol | Relay (... Calculated Property |
| IE | 8.34 | eV | Relay (... Calculated Property |
| log10WS | -5.42 | Relay (... Calculated Property | |
| logPoct/wat | 5.821 | Crippen Calculated Property | |
| Pc | 663.52 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2492.00; 2544.00] |
|
|
| Inp | 2544.00 | NIST | |
| Inp | 2492.00 | NIST | |
| Inp | 2507.00 | NIST | |
| Inp | 2492.00 | NIST | |
| Inp | 2492.00 | NIST | |
| Inp | 2544.00 | NIST | |
| Tboil | 671.56 | K | Relay (... Calculated Property |
| Tc | 950.72 | K | Relay (... Calculated Property |
| Tfus | 391.09 | K | Relay (... Calculated Property |
| Vc | 1.210 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Flavanone, 5,7-dihydroxy, 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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