- InChI
- InChI=1S/C24H36O2Si/c1-23(2,3)27(5,6)26-17-8-10-18-16(15-17)7-9-20-19(18)13-14-24(4)21(20)11-12-22(24)25/h8,10,15,19-21H,7,9,11-14H2,1-6H3
- InChI Key
- SXFKICPVHVUTMH-UHFFFAOYSA-N
- Formula
- C24H36O2Si
- SMILES
-
CC12CCC3c4ccc(O[Si](C)(C)C(C)(
C)C)cc4CCC3C1CCC2=O - Molecular Weight1
- 384.63
- Other Names
-
- 3-Pyrrol[tert-butyl(dimethyl)silyl]oxymorphoestra-1,3,5(10)-trien-17-one
- Estrone, tbdms 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 | 0.6295 | Relay (... Calculated Property | |
| ΔfG° | 83.57 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -516.75 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 100.94 | kJ/mol | Relay (... Calculated Property |
| IE | 8.03 | eV | Relay (... Calculated Property |
| log10WS | -6.04 | Relay (... Calculated Property | |
| logPoct/wat | 6.496 | Crippen Calculated Property | |
| Pc | 990.25 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [3033.80; 3033.80] |
|
|
| Inp | 3033.80 | NIST | |
| Inp | 3033.80 | NIST | |
| Tboil | 683.40 | K | Relay (... Calculated Property |
| Tc | 965.40 | K | Relay (... Calculated Property |
| Tfus | 432.19 | K | Relay (... Calculated Property |
| Vc | 1.194 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Estrone, tert-butyldimethylsilyl 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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