- InChI
- InChI=1S/C26H38O2Si/c1-8-26(27)16-14-23-22-11-9-18-17-19(28-29(6,7)24(2,3)4)10-12-20(18)21(22)13-15-25(23,26)5/h1,10,12,17,21-23,27H,9,11,13-16H2,2-7H3
- InChI Key
- CSZIVCGZGDDUNR-UHFFFAOYSA-N
- Formula
- C26H38O2Si
- SMILES
-
C#CC1(O)CCC2C3CCc4cc(O[Si](C)(
C)C(C)(C)C)ccc4C3CCC21C - Molecular Weight1
- 410.66
- Other Names
-
- Ethinyl estradiol, 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 | 0.6917 | Relay (... Calculated Property | |
| ΔfG° | 238.90 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -330.36 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 126.08 | kJ/mol | Relay (... Calculated Property |
| IE | 8.01 | eV | Relay (... Calculated Property |
| log10WS | -6.44 | Relay (... Calculated Property | |
| logPoct/wat | 6.291 | Crippen Calculated Property | |
| Pc | 946.23 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 3024.70 | NIST | |
| Tboil | 699.30 | K | Relay (... Calculated Property |
| Tc | 990.37 | K | Relay (... Calculated Property |
| Tfus | 461.29 | K | Relay (... Calculated Property |
| Vc | 1.266 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 17«alpha»-Ethynylestradiol, 3-(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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