- InChI
- InChI=1S/C29H54O2Si/c1-20(2)10-9-11-21(3)24-14-15-25-23-13-12-22-18-27(31-32(6,7)8)30-19-29(22,5)26(23)16-17-28(24,25)4/h20-27H,9-19H2,1-8H3/t21?,22?,23?,24-,25?,26?,27-,28-,29+/m0/s1
- InChI Key
- IJELOPGGEBSQFW-PUHYIDFYSA-N
- Formula
- C29H54O2Si
- SMILES
-
CC(C)CCCC(C)C1CCC2C3CCC4CC(O[S
i](C)(C)C)OCC4(C)C3CCC12C - Molecular Weight1
- 462.82
- 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 | 0.6693 | Relay (... Calculated Property | |
| ΔfG° | 67.71 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -841.34 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 118.36 | kJ/mol | Relay (... Calculated Property |
| IE | 9.15 | eV | Relay (... Calculated Property |
| log10WS | -8.12 | Relay (... Calculated Property | |
| logPoct/wat | 8.522 | Crippen Calculated Property | |
| Pc | 113.86 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [3070.00; 3070.00] |
|
|
| Inp | 3070.00 | NIST | |
| Inp | 3070.00 | NIST | |
| Tboil | 691.05 | K | Relay (... Calculated Property |
| Tc | 945.07 | K | Relay (... Calculated Property |
| Tfus | 375.46 | K | Relay (... Calculated Property |
| Vc | 1.534 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 2-Oxacholesterol, 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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