- InChI
- InChI=1S/C39H78O4Si4/c1-28(19-18-23-37(2,3)43-47(15,16)17)31-20-21-32-36-33(27-35(39(31,32)5)42-46(12,13)14)38(4)24-22-30(40-44(6,7)8)25-29(38)26-34(36)41-45(9,10)11/h26,28,30-36H,18-25,27H2,1-17H3/t28-,30+,31-,32?,33?,34-,35+,36?,38+,39-/m0/s1
- InChI Key
- PKNLLDOYGGFAIH-FGWGIACJSA-N
- Formula
- C39H78O4Si4
- SMILES
-
CC(CCCC(C)(C)O[Si](C)(C)C)C1CC
C2C3C(O[Si](C)(C)C)C=C4CC(O[Si ](C)(C)C)CCC4(C)C3CC(O[Si](C)( C)C)C12C - 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 | 0.8984 | Relay (... Calculated Property | |
| ΔfG° | -11.12 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1419.99 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 124.74 | kJ/mol | Relay (... Calculated Property |
| IE | 8.55 | eV | Relay (... Calculated Property |
| log10WS | -8.25 | Relay (... Calculated Property | |
| logPoct/wat | 11.882 | Crippen Calculated Property | |
| Pc | -1180.99 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [3396.00; 3396.00] |
|
|
| Inp | 3396.00 | NIST | |
| Inp | 3396.00 | NIST | |
| Tboil | 748.77 | K | Relay (... Calculated Property |
| Tc | 999.10 | K | Relay (... Calculated Property |
| Tfus | 355.23 | K | Relay (... Calculated Property |
| Vc | 2.406 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 5-Cholesten-3-«beta»,7-«alpha»,12-«alpha»,25-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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