- InChI
- InChI=1S/C27H48O3Si2/c1-19(28)27(30-32(7,8)9)17-14-24-22-11-10-20-18-21(29-31(4,5)6)12-15-25(20,2)23(22)13-16-26(24,27)3/h10,21-24H,11-18H2,1-9H3
- InChI Key
- DLZOVGNVZMMMNX-UHFFFAOYSA-N
- Formula
- C27H48O3Si2
- SMILES
-
CC(=O)C1(O[Si](C)(C)C)CCC2C3CC
=C4CC(O[Si](C)(C)C)CCC4(C)C3CC C21C - Molecular Weight1
- 476.84
- Other Names
-
- 3,17-Bis[(trimethylsilyl)oxy]pregn-5-en-20-one
- 17«ALPHA»-hydroxypregnenolone, 2tms derivative
- 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 | 0.6095 | Relay (... Calculated Property | |
| ΔfG° | -8.04 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -849.19 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 107.44 | kJ/mol | Relay (... Calculated Property |
| IE | 8.38 | eV | Relay (... Calculated Property |
| log10WS | -5.79 | Relay (... Calculated Property | |
| logPoct/wat | 7.349 | Crippen Calculated Property | |
| Pc | 179.65 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2906.10; 2906.10] |
|
|
| Inp | 2906.10 | NIST | |
| Inp | 2906.10 | NIST | |
| Tboil | 671.64 | K | Relay (... Calculated Property |
| Tc | 940.71 | K | Relay (... Calculated Property |
| Tfus | 402.16 | K | Relay (... Calculated Property |
| Vc | 1.511 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 17«alpha»-Hydroxypregnenolone, bis(trimethylsilyl) ether.
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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