- InChI
- InChI=1S/C27H46O3Si3/c1-27-16-15-20-21(23(27)13-14-26(27)30-33(8,9)10)12-11-19-17-24(28-31(2,3)4)25(18-22(19)20)29-32(5,6)7/h14,17-18,20-21,23H,11-13,15-16H2,1-10H3/t20?,21?,23?,27-/m1/s1
- InChI Key
- ARHVAJXLYBXHBH-ISINKVRMSA-N
- Formula
- C27H46O3Si3
- SMILES
-
CC12CCC3c4cc(O[Si](C)(C)C)c(O[
Si](C)(C)C)cc4CCC3C1CC=C2O[Si] (C)(C)C - Molecular Weight1
- 502.91
- 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 | 0.7698 | Relay (... Calculated Property | |
| ΔfG° | 22.25 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -846.42 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 105.45 | kJ/mol | Relay (... Calculated Property |
| IE | 8.00 | eV | Relay (... Calculated Property |
| log10WS | -6.76 | Relay (... Calculated Property | |
| logPoct/wat | 8.315 | Crippen Calculated Property | |
| Pc | -220.01 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 2772.00 | NIST | |
| Tboil | 687.50 | K | Relay (... Calculated Property |
| Tc | 945.21 | K | Relay (... Calculated Property |
| Tfus | 390.18 | K | Relay (... Calculated Property |
| Vc | 1.614 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 2-Hydroxyoestrone (enol), TMS.
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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