- InChI
- InChI=1S/C42H86O5Si5/c1-31(21-20-25-40(2,47-52(17,18)19)30-43-48(5,6)7)34-22-23-35-39-36(29-38(42(34,35)4)46-51(14,15)16)41(3)26-24-33(44-49(8,9)10)27-32(41)28-37(39)45-50(11,12)13/h28,31,33-39H,20-27,29-30H2,1-19H3/t31-,33+,34-,35?,36?,37-,38+,39?,40?,41+,42-/m0/s1
- InChI Key
- OUHBGNOOOYIUFA-GRNOMWHUSA-N
- Formula
- C42H86O5Si5
- SMILES
-
CC(CCCC(C)(CO[Si](C)(C)C)O[Si]
(C)(C)C)C1CCC2C3C(O[Si](C)(C)C )C=C4CC(O[Si](C)(C)C)CCC4(C)C3 CC(O[Si](C)(C)C)C12C - Molecular Weight1
- 811.56
- 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 | 1.0087 | Relay (... Calculated Property | |
| ΔfG° | -82.00 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1697.77 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 128.78 | kJ/mol | Relay (... Calculated Property |
| IE | 8.56 | eV | Relay (... Calculated Property |
| log10WS | -8.51 | Relay (... Calculated Property | |
| logPoct/wat | 12.714 | Crippen Calculated Property | |
| Pc | -1538.54 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [3644.00; 3644.00] |
|
|
| Inp | 3644.00 | NIST | |
| Inp | 3644.00 | NIST | |
| Tboil | 781.57 | K | Relay (... Calculated Property |
| Tc | 1022.53 | K | Relay (... Calculated Property |
| Tfus | 352.70 | K | Relay (... Calculated Property |
| Vc | 2.693 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 5-Cholesten-3-«beta»,7-«alpha»,12-«alpha»,25,26-pentol, 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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