- InChI
- InChI=1S/C28H52O4Si3/c1-27-15-14-20(30-33(3,4)5)16-19(27)12-13-21-22-17-24(31-34(6,7)8)26(32-35(9,10)11)28(22,2)18-23(29)25(21)27/h12,20-22,24-26H,13-18H2,1-11H3
- InChI Key
- BYQWGZSZKMWGHT-UHFFFAOYSA-N
- Formula
- C28H52O4Si3
- SMILES
-
CC12CCC(O[Si](C)(C)C)CC1=CCC1C
2C(=O)CC2(C)C1CC(O[Si](C)(C)C) C2O[Si](C)(C)C - Molecular Weight1
- 536.97
- 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 | 0.6722 | Relay (... Calculated Property | |
| ΔfG° | -99.12 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1127.35 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 105.29 | kJ/mol | Relay (... Calculated Property |
| IE | 8.58 | eV | Relay (... Calculated Property |
| log10WS | -5.36 | Relay (... Calculated Property | |
| logPoct/wat | 7.398 | Crippen Calculated Property | |
| Pc | -177.22 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2750.00; 2750.00] |
|
|
| Inp | 2750.00 | NIST | |
| Inp | 2750.00 | NIST | |
| Tboil | 689.92 | K | Relay (... Calculated Property |
| Tc | 957.71 | K | Relay (... Calculated Property |
| Tfus | 405.41 | K | Relay (... Calculated Property |
| Vc | 1.700 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 3,16,17-Trihydroxy-5-abdrosten-11-one, 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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