- InChI
- InChI=1S/C28H44O7Si4/c1-30-22-16-19(14-15-21(22)33-37(5,6)7)27-28(35-39(11,12)13)26(29)25-23(31-27)17-20(32-36(2,3)4)18-24(25)34-38(8,9)10/h14-18H,1-13H3
- InChI Key
- CUJMJEJCHKTDEP-UHFFFAOYSA-N
- Formula
- C28H44O7Si4
- SMILES
-
COc1cc(-c2oc3cc(O[Si](C)(C)C)c
c(O[Si](C)(C)C)c3c(=O)c2O[Si]( C)(C)C)ccc1O[Si](C)(C)C - Molecular Weight1
- 604.99
- 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 | 1.1509 | Relay (1.0) Calculated Property | |
| ΔfG° | -423.85 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1316.00 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 113.44 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.97 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.77 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.323 | Crippen Calculated Property | |
| Inp | [3185.10; 3185.10] |
|
|
| Inp | 3185.10 | NIST | |
| Inp | 3185.10 | NIST | |
| Tboil | 757.48 | K | Relay (1.0) Calculated Property |
| Tc | 1028.66 | K | Relay (1.0) Calculated Property |
| Tfus | 395.60 | K | Relay (1.0) Calculated Property |
| Vc | 1.859 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Isorhamnetin (4TMS).
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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