- InChI
- InChI=1S/C25H38O5Si3/c1-27-21-17-23(29-32(5,6)7)25(24(18-21)30-33(8,9)10)22(26)16-13-19-11-14-20(15-12-19)28-31(2,3)4/h11-18H,1-10H3/b16-13-
- InChI Key
- XXNGXPJEECHDIK-SSZFMOIBSA-N
- Formula
- C25H38O5Si3
- SMILES
-
COc1cc(O[Si](C)(C)C)c(C(=O)C=C
c2ccc(O[Si](C)(C)C)cc2)c(O[Si] (C)(C)C)c1 - Molecular Weight1
- 502.82
- 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 | 0.9678 | Relay (... Calculated Property | |
| ΔfG° | -229.19 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -989.53 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 96.19 | kJ/mol | Relay (... Calculated Property |
| IE | 8.03 | eV | Relay (... Calculated Property |
| log10WS | -6.26 | Relay (... Calculated Property | |
| logPoct/wat | 7.232 | Crippen Calculated Property | |
| Pc | -10.77 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 703.85 | K | Relay (... Calculated Property |
| Tc | 943.90 | K | Relay (... Calculated Property |
| Tfus | 395.19 | K | Relay (... Calculated Property |
| Vc | 1.534 | 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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