- InChI
- InChI=1S/C29H58O3Si3/c1-20(30-33(3,4)5)25-16-17-26-24-14-12-21-18-22(31-34(6,7)8)13-15-23(21)28(24)27(19-29(25,26)2)32-35(9,10)11/h20-28H,12-19H2,1-11H3/t20-,21+,22+,23?,24?,25+,26?,27-,28?,29+/m1/s1
- InChI Key
- MGCSXZOEOJKYDJ-YXLHHJPNSA-N
- Formula
- C29H58O3Si3
- SMILES
-
CC(O[Si](C)(C)C)C1CCC2C3CCC4CC
(O[Si](C)(C)C)CCC4C3C(O[Si](C) (C)C)CC12C - 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.
- 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 | 0.6814 | Relay (... Calculated Property | |
| ΔfG° | -18.57 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1109.83 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 105.45 | kJ/mol | Relay (... Calculated Property |
| IE | 8.93 | eV | Relay (... Calculated Property |
| log10WS | -6.92 | Relay (... Calculated Property | |
| logPoct/wat | 8.545 | Crippen Calculated Property | |
| Pc | -433.55 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2930.00; 2937.00] |
|
|
| Inp | 2930.00 | NIST | |
| Inp | 2937.00 | NIST | |
| Inp | 2936.00 | NIST | |
| Tboil | 698.52 | K | Relay (... Calculated Property |
| Tc | 941.14 | K | Relay (... Calculated Property |
| Tfus | 388.50 | K | Relay (... Calculated Property |
| Vc | 1.767 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 5«beta»-Pregnane-3«alpha»,11«beta»,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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