- InChI
- InChI=1S/C24H38O4Si3/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/h10-14,17-18H,15-16H2,1-9H3
- InChI Key
- ZYBAQBXRVHCGHQ-UHFFFAOYSA-N
- Formula
- C24H38O4Si3
- SMILES
-
C[Si](C)(C)Oc1cc(O[Si](C)(C)C)
c(CCC(=O)c2ccccc2)c(O[Si](C)(C )C)c1 - Molecular Weight1
- 474.81
- Other Names
-
- Dihydrochalcone, 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 | 0.9214 | Relay (... Calculated Property | |
| ΔfG° | -160.70 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -919.04 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 99.85 | kJ/mol | Relay (... Calculated Property |
| IE | 8.62 | eV | Relay (... Calculated Property |
| log10WS | -5.89 | Relay (... Calculated Property | |
| logPoct/wat | 7.143 | Crippen Calculated Property | |
| Pc | 113.69 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2438.00; 2441.00] |
|
|
| Inp | 2438.00 | NIST | |
| Inp | 2441.00 | NIST | |
| Tboil | 676.32 | K | Relay (... Calculated Property |
| Tc | 918.16 | K | Relay (... Calculated Property |
| Tfus | 386.34 | K | Relay (... Calculated Property |
| Vc | 1.510 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Dihydrochalcone, 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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