- InChI
- InChI=1S/C25H40O2Si2/c1-24-15-13-19(26-28(3,4)5)17-18(24)9-10-20-21-11-12-23(27-29(6,7)8)25(21,2)16-14-22(20)24/h9,12-13,15,17,20-22H,10-11,14,16H2,1-8H3
- InChI Key
- FDLXAQMQAOPIDT-UHFFFAOYSA-N
- Formula
- C25H40O2Si2
- SMILES
-
CC12C=CC(O[Si](C)(C)C)=CC1=CCC
1C2CCC2(C)C(O[Si](C)(C)C)=CCC1 2 - Molecular Weight1
- 428.75
- 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 | 0.5387 | Relay (... Calculated Property | |
| ΔfG° | 175.28 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -539.05 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 98.09 | kJ/mol | Relay (... Calculated Property |
| IE | 7.79 | eV | Relay (... Calculated Property |
| log10WS | -6.37 | Relay (... Calculated Property | |
| logPoct/wat | 7.416 | Crippen Calculated Property | |
| Pc | 177.60 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2668.00; 2687.00] |
|
|
| Inp | 2687.00 | NIST | |
| Inp | 2668.00 | NIST | |
| Inp | 2687.00 | NIST | |
| Tboil | 627.24 | K | Relay (... Calculated Property |
| Tc | 897.16 | K | Relay (... Calculated Property |
| Tfus | 374.17 | K | Relay (... Calculated Property |
| Vc | 1.348 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Androsta-1,4-diene-3,17-dione, per-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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