- InChI
- InChI=1S/C27H42O6Si4/c1-34(2,3)30-20-14-15-21-23(18-20)29-26(27(25(21)28)33-37(10,11)12)19-13-16-22(31-35(4,5)6)24(17-19)32-36(7,8)9/h13-18H,1-12H3
- InChI Key
- LZIQFUABPZZTFQ-UHFFFAOYSA-N
- Formula
- C27H42O6Si4
- SMILES
-
C[Si](C)(C)Oc1ccc2c(=O)c(O[Si]
(C)(C)C)c(-c3ccc(O[Si](C)(C)C) c(O[Si](C)(C)C)c3)oc2c1 - Molecular Weight1
- 574.96
- 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.
- 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 | 1.0732 | Relay (1.0) Calculated Property | |
| ΔfG° | -318.49 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1186.90 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 113.12 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.31 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.39 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.315 | Crippen Calculated Property | |
| Inp | [3125.40; 3155.90] |
|
|
| Inp | 3125.40 | NIST | |
| Inp | 3155.90 | NIST | |
| Inp | 3125.40 | NIST | |
| Tboil | 744.44 | K | Relay (1.0) Calculated Property |
| Tc | 1010.92 | K | Relay (1.0) Calculated Property |
| Tfus | 395.47 | K | Relay (1.0) Calculated Property |
| Vc | 1.788 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Fisetin, 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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