- InChI
- InChI=1S/C26H40O6Si2/c1-16-14-24-15-26(16,32-34(7,8)9)18(31-33(4,5)6)13-17(24)25-12-10-11-23(2,22(28)30-25)20(25)19(24)21(27)29-3/h10-11,17-20H,1,12-15H2,2-9H3/t17?,18-,19+,20?,23+,24-,25+,26-/m1/s1
- InChI Key
- KQGUPRWOMUWGHL-NQSHEQGGSA-N
- Formula
- C26H40O6Si2
- SMILES
-
C=C1CC23CC1(O[Si](C)(C)C)C(O[S
i](C)(C)C)CC2C12CC=CC(C)(C(=O) O1)C2C3C(=O)OC - Molecular Weight1
- 504.76
- 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 | 0.6493 | Relay (... Calculated Property | |
| ΔfG° | -364.41 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1177.04 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 109.72 | kJ/mol | Relay (... Calculated Property |
| IE | 8.94 | eV | Relay (... Calculated Property |
| log10WS | -3.79 | Relay (... Calculated Property | |
| logPoct/wat | 4.834 | Crippen Calculated Property | |
| Pc | 140.37 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 2635.00 | NIST | |
| Tboil | 673.55 | K | Relay (... Calculated Property |
| Tc | 963.46 | K | Relay (... Calculated Property |
| Tfus | 354.94 | K | Relay (... Calculated Property |
| Vc | 1.487 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 12-«beta»-Hydroxy-GA5, MeTMSi.
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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