- InChI
- InChI=1S/C24H38O3Si/c1-16(25)24(27-28(4,5)6)14-11-21-19-8-7-17-15-18(26)9-12-22(17,2)20(19)10-13-23(21,24)3/h15,19-21H,7-14H2,1-6H3
- InChI Key
- DTNUAPPJOHKDLL-UHFFFAOYSA-N
- Formula
- C24H38O3Si
- SMILES
-
CC(=O)C1(O[Si](C)(C)C)CCC2C3CC
C4=CC(=O)CCC4(C)C3CCC21C - Molecular Weight1
- 402.64
- Other Names
-
- 17-[(Trimethylsilyl)oxy]pregn-4-ene-3,20-dione
- 17«ALPHA»-hydroxyprogesterone, tms 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 | 0.5856 | Relay (... Calculated Property | |
| ΔfG° | -72.59 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -707.31 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 108.53 | kJ/mol | Relay (... Calculated Property |
| IE | 8.71 | eV | Relay (... Calculated Property |
| log10WS | -5.09 | Relay (... Calculated Property | |
| logPoct/wat | 5.698 | Crippen Calculated Property | |
| Pc | 768.94 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [3048.40; 3048.40] |
|
|
| Inp | 3048.40 | NIST | |
| Inp | 3048.40 | NIST | |
| Tboil | 672.14 | K | Relay (... Calculated Property |
| Tc | 948.47 | K | Relay (... Calculated Property |
| Tfus | 418.11 | K | Relay (... Calculated Property |
| Vc | 1.216 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 17«alpha»-Hydroxyprogesterone, 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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