- InChI
- InChI=1S/C39H78O4Si4/c1-27(2)34(41-45(9,10)11)21-18-28(3)31-19-20-32-37-33(26-36(39(31,32)5)43-47(15,16)17)38(4)23-22-30(40-44(6,7)8)24-29(38)25-35(37)42-46(12,13)14/h25,27-28,30-37H,18-24,26H2,1-17H3/t28-,30+,31-,32?,33?,34?,35-,36+,37?,38+,39-/m0/s1
- InChI Key
- ROAACXQBSVOHGT-GEKSFLGSSA-N
- Formula
- C39H78O4Si4
- SMILES
-
CC(C)C(CCC(C)C1CCC2C3C(O[Si](C
)(C)C)C=C4CC(O[Si](C)(C)C)CCC4 (C)C3CC(O[Si](C)(C)C)C12C)O[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 | 0.8838 | Relay (... Calculated Property | |
| ΔfG° | -11.57 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1400.39 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 124.76 | kJ/mol | Relay (... Calculated Property |
| IE | 8.51 | eV | Relay (... Calculated Property |
| log10WS | -8.29 | Relay (... Calculated Property | |
| logPoct/wat | 11.738 | Crippen Calculated Property | |
| Pc | -1168.75 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [3344.00; 3344.00] |
|
|
| Inp | 3344.00 | NIST | |
| Inp | 3344.00 | NIST | |
| Tboil | 753.17 | K | Relay (... Calculated Property |
| Tc | 1000.88 | K | Relay (... Calculated Property |
| Tfus | 358.59 | K | Relay (... Calculated Property |
| Vc | 2.376 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 5-Cholesten-3-«beta»,7-«alpha»,12-«alpha»,24-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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