- InChI
- InChI=1S/C26H49NO3Si2/c1-25-15-14-19(29-31(4,5)6)16-18(25)10-11-20-21-12-13-23(27-28-3)26(21,2)17-22(24(20)25)30-32(7,8)9/h18-22,24H,10-17H2,1-9H3/b27-23+/t18-,19-,20?,21?,22?,24?,25+,26+/m0/s1
- InChI Key
- XCNGMXKDGCALRD-DJBVTNEDSA-N
- Formula
- C26H49NO3Si2
- SMILES
-
CON=C1CCC2C3CCC4CC(O[Si](C)(C)
C)CCC4(C)C3C(O[Si](C)(C)C)CC12 C - Molecular Weight1
- 479.84
- Other Names
-
- 11-«beta»-Hydroxyetiocholanolone, MO TMS
- 11B-Hydroxyetiocholanolone, 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 | 0.6889 | Relay (... Calculated Property | |
| ΔfG° | 96.99 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -772.76 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 101.17 | kJ/mol | Relay (... Calculated Property |
| IE | 8.50 | eV | Relay (... Calculated Property |
| log10WS | -5.50 | Relay (... Calculated Property | |
| logPoct/wat | 7.082 | Crippen Calculated Property | |
| Pc | 68.69 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2700.00; 2744.00] |
|
|
| Inp | 2700.00 | NIST | |
| Inp | 2709.00 | NIST | |
| Inp | 2721.00 | NIST | |
| Inp | 2744.00 | NIST | |
| Inp | 2723.00 | NIST | |
| Inp | 2723.00 | NIST | |
| Inp | 2712.00 | NIST | |
| Inp | 2734.00 | NIST | |
| Inp | 2732.00 | NIST | |
| Inp | 2712.00 | NIST | |
| Inp | 2737.00 | NIST | |
| Tboil | 675.72 | K | Relay (... Calculated Property |
| Tc | 941.74 | K | Relay (... Calculated Property |
| Tfus | 374.58 | K | Relay (... Calculated Property |
| Vc | 1.511 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 11-Hydroxyetiocholanolone MO 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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