- InChI
- InChI=1S/C25H38O5Si3/c1-27-20-13-11-19(12-14-20)23(26)16-15-22-24(29-32(5,6)7)17-21(28-31(2,3)4)18-25(22)30-33(8,9)10/h11-18H,1-10H3/b16-15+
- InChI Key
- CRPWBEUVVFHMKA-FOCLMDBBSA-N
- Formula
- C25H38O5Si3
- SMILES
-
COc1ccc(C(=O)C=Cc2c(O[Si](C)(C
)C)cc(O[Si](C)(C)C)cc2O[Si](C) (C)C)cc1 - Molecular Weight1
- 502.82
- Other Names
-
- Chalcone, 2',4',6'-trihydroxy-4-methoxy, 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).
- 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 | 0.9757 | Relay (... Calculated Property | |
| ΔfG° | -227.45 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -999.95 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 102.49 | kJ/mol | Relay (... Calculated Property |
| IE | 8.03 | eV | Relay (... Calculated Property |
| log10WS | -6.10 | Relay (... Calculated Property | |
| logPoct/wat | 7.232 | Crippen Calculated Property | |
| Pc | -2.35 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 700.21 | K | Relay (... Calculated Property |
| Tc | 941.01 | K | Relay (... Calculated Property |
| Tfus | 389.82 | K | Relay (... Calculated Property |
| Vc | 1.536 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Chalcone, 2',4',6'-trihydroxy-4-methoxy, 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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