- InChI
- InChI=1S/C24H31F5O3Si/c1-22-12-11-17-16-8-6-15(32-33(2,3)4)13-14(16)5-7-18(17)19(22)9-10-20(22)31-21(30)23(25,26)24(27,28)29/h6,8,13,17-20H,5,7,9-12H2,1-4H3/t17-,18-,19+,20+,22+/m0/s1
- InChI Key
- LXJJLIBRGDLFGF-UDGWLPKNSA-N
- Formula
- C24H31F5O3Si
- SMILES
-
CC12CCC3c4ccc(O[Si](C)(C)C)cc4
CCC3C1CCC2OC(=O)C(F)(F)C(F)(F) F - Molecular Weight1
- 490.58
- 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 | 0.7070 | Relay (... Calculated Property | |
| ΔfG° | -1052.28 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1737.90 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 110.52 | kJ/mol | Relay (... Calculated Property |
| IE | 8.85 | eV | Relay (... Calculated Property |
| log10WS | -7.14 | Relay (... Calculated Property | |
| logPoct/wat | 6.866 | Crippen Calculated Property | |
| Pc | 295.02 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 2551.00 | NIST | |
| Tboil | 672.75 | K | Relay (... Calculated Property |
| Tc | 884.47 | K | Relay (... Calculated Property |
| Tfus | 383.64 | K | Relay (... Calculated Property |
| Vc | 1.268 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 1,3,5(10)-Oestratriene-3,17«beta»-diol, 3-TMS-17-PFP.
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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