- InChI
- InChI=1S/C24H44O2Si2/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/h13,17-22H,8-12,14-16H2,1-7H3/t17-,18+,19?,20?,21?,22?,24-/m1/s1
- InChI Key
- WCQINPWVBRKWGZ-NKLQSSKBSA-N
- Formula
- C24H44O2Si2
- SMILES
-
CC12CCC3C4CCC(O[Si](C)(C)C)CC4
CCC3C1CC=C2O[Si](C)(C)C - Molecular Weight1
- 420.78
- 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 | 0.5632 | Relay (... Calculated Property | |
| ΔfG° | 73.89 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -754.02 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 92.04 | kJ/mol | Relay (... Calculated Property |
| IE | 8.62 | eV | Relay (... Calculated Property |
| log10WS | -6.40 | Relay (... Calculated Property | |
| logPoct/wat | 7.204 | Crippen Calculated Property | |
| Pc | 128.21 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2460.00; 2462.00] |
|
|
| Inp | 2462.00 | NIST | |
| Inp | 2460.00 | NIST | |
| Tboil | 654.32 | K | Relay (... Calculated Property |
| Tc | 899.74 | K | Relay (... Calculated Property |
| Tfus | 377.84 | K | Relay (... Calculated Property |
| Vc | 1.365 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 5«alpha»-Estran-3«alpha»-ol-17-one, 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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