![Estra-1,3,5(10),6-tetraen-17-one, 3-[(trimethylsilyl)oxy]-](/cid/84-752-4/Estra-1-3-5-10-6-tetraen-17-one-3-trimethylsilyl-oxy.png "Estra-1,3,5(10),6-tetraen-17-one, 3-[(trimethylsilyl)oxy]-")
- InChI
- InChI=1S/C21H28O2Si/c1-21-12-11-17-16-8-6-15(23-24(2,3)4)13-14(16)5-7-18(17)19(21)9-10-20(21)22/h5-8,13,17-19H,9-12H2,1-4H3/t17-,18-,19+,21+/m0/s1
- InChI Key
- BRIXPURCIVSCJA-CTAFRAEOSA-N
- Formula
- C21H28O2Si
- SMILES
-
CC12CCC3c4ccc(O[Si](C)(C)C)cc4
C=CC3C1CCC2=O - Molecular Weight1
- 340.53
- CAS
- 69688-26-2
- Other Names
-
- Oestrone, 6-dehydro, TMS
- 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 | 0.5722 | Relay (... Calculated Property | |
| ΔfG° | 91.35 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -390.52 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 98.25 | kJ/mol | Relay (... Calculated Property |
| IE | 7.86 | eV | Relay (... Calculated Property |
| log10WS | -5.27 | Relay (... Calculated Property | |
| logPoct/wat | 5.406 | Crippen Calculated Property | |
| Pc | 919.69 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2542.00; 2633.00] |
|
|
| Inp | 2542.00 | NIST | |
| Inp | 2633.00 | NIST | |
| Inp | 2542.00 | NIST | |
| Tboil | 665.97 | K | Relay (... Calculated Property |
| Tc | 929.82 | K | Relay (... Calculated Property |
| Tfus | 423.58 | K | Relay (... Calculated Property |
| Vc | 1.018 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Estra-1,3,5(10),6-tetraen-17-one, 3-[(trimethylsilyl)oxy]-.
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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