- InChI
- InChI=1S/C24H36O4Si3/c1-29(2,3)26-20-17-23(27-30(4,5)6)21(24(18-20)28-31(7,8)9)15-16-22(25)19-13-11-10-12-14-19/h10-18H,1-9H3/b16-15+
- InChI Key
- QVGPOKXGZYTABA-FOCLMDBBSA-N
- Formula
- C24H36O4Si3
- SMILES
-
C[Si](C)(C)Oc1cc(O[Si](C)(C)C)
c(C=CC(=O)c2ccccc2)c(O[Si](C)( C)C)c1 - Molecular Weight1
- 472.80
- Other Names
-
- Chalcone, 2',4',6'-trihydroxy, tris-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 | 0.8771 | Relay (... Calculated Property | |
| ΔfG° | -129.13 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -850.97 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 97.59 | kJ/mol | Relay (... Calculated Property |
| IE | 8.54 | eV | Relay (... Calculated Property |
| log10WS | -5.85 | Relay (... Calculated Property | |
| logPoct/wat | 7.224 | Crippen Calculated Property | |
| Pc | 156.02 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2499.00; 2511.00] |
|
|
| Inp | 2501.00 | NIST | |
| Inp | 2511.00 | NIST | |
| Inp | 2499.00 | NIST | |
| Inp | 2501.00 | NIST | |
| Inp | 2499.00 | NIST | |
| Tboil | 675.50 | K | Relay (... Calculated Property |
| Tc | 923.06 | K | Relay (... Calculated Property |
| Tfus | 383.51 | K | Relay (... Calculated Property |
| Vc | 1.465 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Chalcone, 2',4',6'-trihydroxy, 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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