- InChI
- InChI=1S/C26H49NO3Si2/c1-25-14-12-19(29-31(4,5)6)16-18(25)10-11-20-21(25)13-15-26(2)22(20)17-23(24(26)27-28-3)30-32(7,8)9/h18-23H,10-17H2,1-9H3/t18-,19-,20?,21?,22?,23-,25?,26?/m0/s1
- InChI Key
- TVJNIUFLVUUMNG-BDQYVTRZSA-N
- Formula
- C26H49NO3Si2
- SMILES
-
CON=C1C(O[Si](C)(C)C)CC2C3CCC4
CC(O[Si](C)(C)C)CCC4(C)C3CCC12 C - Molecular Weight1
- 479.84
- 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 | 0.6834 | Relay (... Calculated Property | |
| ΔfG° | 91.67 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -785.63 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 102.34 | kJ/mol | Relay (... Calculated Property |
| IE | 8.56 | eV | Relay (... Calculated Property |
| log10WS | -5.59 | Relay (... Calculated Property | |
| logPoct/wat | 7.082 | Crippen Calculated Property | |
| Pc | 39.61 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2612.00; 2612.00] |
|
|
| Inp | 2612.00 | NIST | |
| Inp | 2612.00 | NIST | |
| Tboil | 673.25 | K | Relay (... Calculated Property |
| Tc | 938.83 | K | Relay (... Calculated Property |
| Tfus | 379.21 | K | Relay (... Calculated Property |
| Vc | 1.516 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 16«alpha»-Hydroxyetiocholanolone(I), 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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