- InChI
- InChI=1S/C27H42O6Si4/c1-34(2,3)30-20-15-13-19(14-16-20)26-27(33-37(10,11)12)25(28)24-22(29-26)17-21(31-35(4,5)6)18-23(24)32-36(7,8)9/h13-18H,1-12H3
- InChI Key
- PUECBQJPIKHMBY-UHFFFAOYSA-N
- Formula
- C27H42O6Si4
- SMILES
-
C[Si](C)(C)Oc1ccc(-c2oc3cc(O[S
i](C)(C)C)cc(O[Si](C)(C)C)c3c( =O)c2O[Si](C)(C)C)cc1 - Molecular Weight1
- 574.96
- CAS
- 4071-80-1
- 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 | 1.0711 | Relay (1.0) Calculated Property | |
| ΔfG° | -326.32 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1176.20 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 111.00 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.32 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.83 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.315 | Crippen Calculated Property | |
| Inp | [3065.90; 3065.90] |
|
|
| Inp | 3065.90 | NIST | |
| Inp | 3065.90 | NIST | |
| Tboil | 744.74 | K | Relay (1.0) Calculated Property |
| Tc | 1013.81 | K | Relay (1.0) Calculated Property |
| Tfus | 394.78 | K | Relay (1.0) Calculated Property |
| Vc | 1.787 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Kaempferol, 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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