- InChI
- InChI=1S/C24H38O2Si2/c1-24-15-14-20-19-11-9-18(25-27(2,3)4)16-17(19)8-10-21(20)22(24)12-13-23(24)26-28(5,6)7/h9,11,13,16,20-22H,8,10,12,14-15H2,1-7H3/t20?,21?,22?,24-/m1/s1
- InChI Key
- OBDMQAFBIRYARE-XRCKSUEFSA-N
- Formula
- C24H38O2Si2
- SMILES
-
CC12CCC3c4ccc(O[Si](C)(C)C)cc4
CCC3C1CC=C2O[Si](C)(C)C - Molecular Weight1
- 414.73
- Other Names
-
- Oestrone (enol)-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 | 0.6446 | Relay (1.0) Calculated Property | |
| ΔfG° | 111.87 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -564.72 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 100.97 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.00 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.41 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.102 | Crippen Calculated Property | |
| Pc | 354.28 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2550.00; 2617.00] |
|
|
| Inp | 2578.00 | NIST | |
| Inp | 2617.00 | NIST | |
| Inp | 2562.00 | NIST | |
| Inp | 2550.00 | NIST | |
| Inp | 2577.00 | NIST | |
| Inp | 2562.00 | NIST | |
| Inp | 2578.00 | NIST | |
| Inp | 2617.00 | NIST | |
| Tboil | 670.98 | K | Relay (1.0) Calculated Property |
| Tc | 916.20 | K | Relay (1.0) Calculated Property |
| Tfus | 377.07 | K | Relay (1.0) Calculated Property |
| Vc | 1.319 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Estrone, 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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