- InChI
- InChI=1S/C29H58O3Si3/c1-20(30-33(3,4)5)28-27(32-35(9,10)11)19-26-25-14-12-21-18-22(31-34(6,7)8)13-15-23(21)24(25)16-17-29(26,28)2/h20-28H,12-19H2,1-11H3/t20-,21+,22+,23?,24?,25?,26?,27+,28-,29-/m1/s1
- InChI Key
- XTIFXEJHFJUBLK-VMQBTNLOSA-N
- Formula
- C29H58O3Si3
- SMILES
-
CC(O[Si](C)(C)C)C1C(O[Si](C)(C
)C)CC2C3CCC4CC(O[Si](C)(C)C)CC C4C3CCC21C - Molecular Weight1
- 539.03
- 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 | 0.6751 | Relay (1.0) Calculated Property | |
| ΔfG° | -20.96 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1110.75 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 105.04 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.93 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.97 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.545 | Crippen Calculated Property | |
| Inp | [2871.00; 2872.00] |
|
|
| Inp | 2871.00 | NIST | |
| Inp | 2872.00 | NIST | |
| Inp | 2871.00 | NIST | |
| Tboil | 701.06 | K | Relay (1.0) Calculated Property |
| Tc | 941.09 | K | Relay (1.0) Calculated Property |
| Tfus | 393.85 | K | Relay (1.0) Calculated Property |
| Vc | 1.765 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 5«beta»-Pregnane-3«alpha»,16«alpha»,20«alpha»-triol, EO-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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