- InChI
- InChI=1S/C28H56O3Si3/c1-27-17-16-23-21(22(27)14-15-26(27)31-34(9,10)11)13-12-20-18-24(29-32(3,4)5)25(19-28(20,23)2)30-33(6,7)8/h20-26H,12-19H2,1-11H3/t20-,21?,22?,23?,24+,25-,26-,27-,28-/m1/s1
- InChI Key
- AHPKNGPAYNSDOO-WAGGLAFESA-N
- Formula
- C28H56O3Si3
- SMILES
-
CC12CC(O[Si](C)(C)C)C(O[Si](C)
(C)C)CC1CCC1C2CCC2(C)C(O[Si](C )(C)C)CCC12 - 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 | 0.6604 | Relay (... Calculated Property | |
| ΔfG° | -36.37 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1051.81 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 104.62 | kJ/mol | Relay (... Calculated Property |
| IE | 9.00 | eV | Relay (... Calculated Property |
| log10WS | -6.85 | Relay (... Calculated Property | |
| logPoct/wat | 8.299 | Crippen Calculated Property | |
| Pc | -177.18 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2869.00; 2869.00] |
|
|
| Inp | 2869.00 | NIST | |
| Inp | 2869.00 | NIST | |
| Tboil | 688.39 | K | Relay (... Calculated Property |
| Tc | 938.80 | K | Relay (... Calculated Property |
| Tfus | 371.03 | K | Relay (... Calculated Property |
| Vc | 1.739 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 5«alpha»-Androstane-2«beta»,3«beta»,17«beta»-triol, 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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