- InChI
- InChI=1S/C28H39F7O4Si2/c1-25-13-12-17-18(20(25)10-11-23(25)37-24(36)26(29,30)27(31,32)28(33,34)35)9-8-16-14-21(38-40(2,3)4)22(15-19(16)17)39-41(5,6)7/h14-15,17-18,20,23H,8-13H2,1-7H3/t17-,18+,20-,23-,25-/m1/s1
- InChI Key
- SGXGBWWIMINUGQ-WYKNMPDOSA-N
- Formula
- C28H39F7O4Si2
- SMILES
-
CC12CCC3c4cc(O[Si](C)(C)C)c(O[
Si](C)(C)C)cc4CCC3C1CCC2OC(=O) C(F)(F)C(F)(F)C(F)(F)F - Molecular Weight1
- 628.77
- 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 | 0.8724 | Relay (... Calculated Property | |
| ΔfG° | -1537.09 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -2450.19 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 116.67 | kJ/mol | Relay (... Calculated Property |
| IE | 8.88 | eV | Relay (... Calculated Property |
| log10WS | -8.17 | Relay (... Calculated Property | |
| logPoct/wat | 8.715 | Crippen Calculated Property | |
| Pc | -391.43 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2738.00; 2738.00] |
|
|
| Inp | 2738.00 | NIST | |
| Inp | 2738.00 | NIST | |
| Tboil | 703.63 | K | Relay (... Calculated Property |
| Tc | 914.61 | K | Relay (... Calculated Property |
| Tfus | 385.14 | K | Relay (... Calculated Property |
| Vc | 1.639 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 1,3,5(10)-Oestratriene-2,3,17«beta»-triol, 2,3-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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