- InChI
- InChI=1S/C39H78O4Si4/c1-28(27-40-44(5,6)7)18-17-19-29(2)32-20-21-33-37-34(26-36(39(32,33)4)43-47(14,15)16)38(3)23-22-31(41-45(8,9)10)24-30(38)25-35(37)42-46(11,12)13/h25,28-29,31-37H,17-24,26-27H2,1-16H3/t28?,29-,31+,32-,33?,34?,35-,36+,37?,38+,39-/m0/s1
- InChI Key
- FWKCMXYTQLETIT-JYYWHMGBSA-N
- Formula
- C39H78O4Si4
- SMILES
-
CC(CCCC(C)C1CCC2C3C(O[Si](C)(C
)C)C=C4CC(O[Si](C)(C)C)CCC4(C) C3CC(O[Si](C)(C)C)C12C)CO[Si]( C)(C)C - Molecular Weight1
- 723.38
- 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 | 0.9214 | Relay (... Calculated Property | |
| ΔfG° | -1.11 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1423.70 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 128.79 | kJ/mol | Relay (... Calculated Property |
| IE | 8.55 | eV | Relay (... Calculated Property |
| log10WS | -8.53 | Relay (... Calculated Property | |
| logPoct/wat | 11.739 | Crippen Calculated Property | |
| Pc | -1162.55 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [3447.00; 3447.00] |
|
|
| Inp | 3447.00 | NIST | |
| Inp | 3447.00 | NIST | |
| Tboil | 758.22 | K | Relay (... Calculated Property |
| Tc | 1004.00 | K | Relay (... Calculated Property |
| Tfus | 344.41 | K | Relay (... Calculated Property |
| Vc | 2.378 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 5-Cholesten-3-«beta»,7-«alpha»,12-«alpha»,26-tetrol, 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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