- InChI
- InChI=1S/C26H33F7O4Si/c1-23-11-10-15-16(7-6-14-12-20(37-38(3,4)5)19(35-2)13-17(14)15)18(23)8-9-21(23)36-22(34)24(27,28)25(29,30)26(31,32)33/h12-13,15-16,18,21H,6-11H2,1-5H3/t15-,16+,18-,21-,23-/m1/s1
- InChI Key
- IYAZYUBXQIGZGF-IGRNSJNGSA-N
- Formula
- C26H33F7O4Si
- SMILES
-
COc1cc2c(cc1O[Si](C)(C)C)CCC1C
2CCC2(C)C(OC(=O)C(F)(F)C(F)(F) C(F)(F)F)CCC12 - Molecular Weight1
- 570.61
- 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 | 0.8345 | Relay (... Calculated Property | |
| ΔfG° | -1535.08 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -2294.96 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 118.28 | kJ/mol | Relay (... Calculated Property |
| IE | 8.58 | eV | Relay (... Calculated Property |
| log10WS | -7.61 | Relay (... Calculated Property | |
| logPoct/wat | 7.510 | Crippen Calculated Property | |
| Pc | -39.85 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2718.00; 2718.00] |
|
|
| Inp | 2718.00 | NIST | |
| Inp | 2718.00 | NIST | |
| Tboil | 697.74 | K | Relay (... Calculated Property |
| Tc | 905.93 | K | Relay (... Calculated Property |
| Tfus | 392.54 | K | Relay (... Calculated Property |
| Vc | 1.421 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 1,3,5(10)-Oestratriene-2-methoxy-3,17«beta»-diol, 3-TMS-17-HFB.
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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