- InChI
- InChI=1S/C28H56O3Si3/c1-27-16-14-21(29-32(3,4)5)18-20(27)12-13-22-23(27)15-17-28(2)24(22)19-25(30-33(6,7)8)26(28)31-34(9,10)11/h20-26H,12-19H2,1-11H3/t20-,21+,22?,23?,24?,25-,26-,27-,28-/m1/s1
- InChI Key
- RQCSPBXXGJRUKU-WWRYRUJSSA-N
- Formula
- C28H56O3Si3
- SMILES
-
CC12CCC(O[Si](C)(C)C)CC1CCC1C2
CCC2(C)C1CC(O[Si](C)(C)C)C2O[S i](C)(C)C - Molecular Weight1
- 525.00
- 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 | 0.6593 | Relay (... Calculated Property | |
| ΔfG° | -35.31 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1061.83 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 102.80 | kJ/mol | Relay (... Calculated Property |
| IE | 8.94 | eV | Relay (... Calculated Property |
| log10WS | -6.74 | Relay (... Calculated Property | |
| logPoct/wat | 8.299 | Crippen Calculated Property | |
| Pc | -193.77 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 2807.00 | NIST | |
| Tboil | 689.52 | K | Relay (... Calculated Property |
| Tc | 941.20 | K | Relay (... Calculated Property |
| Tfus | 371.29 | K | Relay (... Calculated Property |
| Vc | 1.738 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 5A-Androstan-3A,16B,17B-triol, tris-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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