- InChI
- InChI=1S/C25H46O2Si2/c1-24-16-14-19-18-10-9-11-23(26-28(3,4)5)21(18)13-12-20(19)22(24)15-17-25(24,2)27-29(6,7)8/h18-20,22H,9-17H2,1-8H3/t18?,19?,20?,22?,24-,25-/m1/s1
- InChI Key
- XWMOVJSLBZPALE-FDKWZYQFSA-N
- Formula
- C25H46O2Si2
- SMILES
-
CC1(O[Si](C)(C)C)CCC2C3CCC4=C(
O[Si](C)(C)C)CCCC4C3CCC21C - Molecular Weight1
- 434.80
- 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 | 0.5885 | Relay (1.0) Calculated Property | |
| ΔfG° | 56.01 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -759.67 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 96.42 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.40 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.96 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.739 | Crippen Calculated Property | |
| Pc | 201.52 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2660.00; 2660.00] |
|
|
| Inp | 2660.00 | NIST | |
| Inp | 2660.00 | NIST | |
| Tboil | 661.96 | K | Relay (1.0) Calculated Property |
| Tc | 914.26 | K | Relay (1.0) Calculated Property |
| Tfus | 375.49 | K | Relay (1.0) Calculated Property |
| Vc | 1.413 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Estran-4-on-17B-ol, 17A-methyl, 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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