- InChI
- InChI=1S/C25H42O2Si2/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/h9,13,15,17,20-23H,10-12,14,16H2,1-8H3/t20?,21?,22?,23-,24?,25?/m1/s1
- InChI Key
- RUDKDGLQEXQLPE-MCZOVZSXSA-N
- Formula
- C25H42O2Si2
- SMILES
-
CC12C=CC(O[Si](C)(C)C)=CC1=CCC
1C2CCC2(C)C(O[Si](C)(C)C)CCC12 - Molecular Weight1
- 430.77
- Other Names
-
- Boldenone, TMS
- Boldenone, di-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 | 0.5408 | Relay (1.0) Calculated Property | |
| ΔfG° | 134.32 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -583.44 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 97.87 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.12 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.22 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.291 | Crippen Calculated Property | |
| Pc | 209.61 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2678.00; 2684.00] |
|
|
| Inp | 2678.00 | NIST | |
| Inp | 2684.00 | NIST | |
| Inp | 2678.00 | NIST | |
| Tboil | 638.51 | K | Relay (1.0) Calculated Property |
| Tc | 904.14 | K | Relay (1.0) Calculated Property |
| Tfus | 380.19 | K | Relay (1.0) Calculated Property |
| Vc | 1.363 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Androst-1,4-dien-17«beta»-ol-3-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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