- InChI
- InChI=1S/C30H54O2Si2/c1-28(2,3)20-29(4)18-17-25-23-12-13-24-21(22(23)16-19-30(25,29)5)14-15-26(31-33(6,7)8)27(24)32-34(9,10)11/h15,21-23,25H,12-14,16-20H2,1-11H3/t21?,22?,23?,25?,29-,30?/m0/s1
- InChI Key
- GNTHUINSXJCIGU-WCCHIDAPSA-N
- Formula
- C30H54O2Si2
- SMILES
-
CC(C)(C)CC1(C)CCC2C3CCC4=C(O[S
i](C)(C)C)C(O[Si](C)(C)C)=CCC4 C3CCC21C - Molecular Weight1
- 502.92
- Other Names
-
- Oxymesterone, TMS
- Anrost-4-en-17«alpha»-methyl-4,17«beta»-diol-3-one, 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.
- 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 | 0.6666 | Relay (1.0) Calculated Property | |
| ΔfG° | 118.80 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -756.61 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 104.46 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.36 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.74 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.526 | Crippen Calculated Property | |
| Inp | [2951.00; 2984.00] |
|
|
| Inp | 2951.00 | NIST | |
| Inp | 2984.00 | NIST | |
| Inp | 2951.00 | NIST | |
| Tboil | 681.47 | K | Relay (1.0) Calculated Property |
| Tc | 950.10 | K | Relay (1.0) Calculated Property |
| Tfus | 415.18 | K | Relay (1.0) Calculated Property |
| Vc | 1.644 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Androst-1,4-dien-17«alpha»-methyl-6«beta»,17«beta»-diol-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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