- InChI
- InChI=1S/C22H38O3Si/c1-20-14-24-19(23)13-15(20)7-8-16-17(20)9-11-21(2)18(16)10-12-22(21,3)25-26(4,5)6/h15-18H,7-14H2,1-6H3/t15?,16?,17?,18?,20?,21?,22-/m0/s1
- InChI Key
- CKIOLCLYRVAWDL-RLTNABFGSA-N
- Formula
- C22H38O3Si
- SMILES
-
CC12COC(=O)CC1CCC1C2CCC2(C)C1C
CC2(C)O[Si](C)(C)C - Molecular Weight1
- 378.62
- Other Names
-
- 17-epi-Oxandrolone, 17-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 | 0.5698 | Relay (... Calculated Property | |
| ΔfG° | -137.07 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -801.09 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 101.08 | kJ/mol | Relay (... Calculated Property |
| IE | 9.16 | eV | Relay (... Calculated Property |
| log10WS | -4.73 | Relay (... Calculated Property | |
| logPoct/wat | 5.402 | Crippen Calculated Property | |
| Pc | 852.13 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2770.00; 2770.00] |
|
|
| Inp | 2770.00 | NIST | |
| Inp | 2770.00 | NIST | |
| Tboil | 676.76 | K | Relay (... Calculated Property |
| Tc | 929.27 | K | Relay (... Calculated Property |
| Tfus | 419.18 | K | Relay (... Calculated Property |
| Vc | 1.183 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 17-Epioxandrolone, mono-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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