![Androst-5-en-17-one, 3,16-bis[(trimethylsilyl)oxy]-, O-(trimethylsilyl)oxime, (3«beta»,16«beta»)-](/cid/80-152-4/Androst-5-en-17-one-3-16-bis-trimethylsilyl-oxy-O-trimethylsilyl-oxime-3-beta-16-beta.png "Androst-5-en-17-one, 3,16-bis[(trimethylsilyl)oxy]-, O-(trimethylsilyl)oxime, (3«beta»,16«beta»)-")
- InChI
- InChI=1S/C28H53NO3Si3/c1-27-16-14-21(30-33(3,4)5)18-20(27)12-13-22-23(27)15-17-28(2)24(22)19-25(31-34(6,7)8)26(28)29-32-35(9,10)11/h12,21-25H,13-19H2,1-11H3/t21-,22+,23-,24-,25-,27-,28-/m1/s1
- InChI Key
- IPLOJYZPQLPSQP-PCNOWQCUSA-N
- Formula
- C28H53NO3Si3
- SMILES
-
CC12CCC(O[Si](C)(C)C)CC1=CCC1C
2CCC2(C)C(=NO[Si](C)(C)C)C(O[S i](C)(C)C)CC12 - Molecular Weight1
- 535.98
- CAS
- 69833-81-4
- Other Names
-
- 3«beta»,16«beta»-dihydroxy-5-androsten-17-one, MO-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 | 0.7114 | Relay (... Calculated Property | |
| ΔfG° | 140.09 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -819.96 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 103.38 | kJ/mol | Relay (... Calculated Property |
| IE | 8.08 | eV | Relay (... Calculated Property |
| log10WS | -6.01 | Relay (... Calculated Property | |
| logPoct/wat | 8.207 | Crippen Calculated Property | |
| Pc | -288.62 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2762.00; 2800.00] |
|
|
| Inp | 2800.00 | NIST | |
| Inp | 2763.00 | NIST | |
| Inp | 2773.00 | NIST | |
| Inp | 2762.00 | NIST | |
| Inp | 2800.00 | NIST | |
| Tboil | 677.15 | K | Relay (... Calculated Property |
| Tc | 936.59 | K | Relay (... Calculated Property |
| Tfus | 370.57 | K | Relay (... Calculated Property |
| Vc | 1.726 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
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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