- InChI
- InChI=1S/C24H40O3Si/c1-21-9-8-10-22(2,20(25)26-4)17(21)12-19(27-28(5,6)7)24-13-16-15(11-18(21)24)23(16,3)14-24/h15-19H,8-14H2,1-7H3/t15-,16?,17?,18?,19-,21-,22-,23-,24-/m0/s1
- InChI Key
- NSQQWIMKIXFQDW-VBUXDKKWSA-N
- Formula
- C24H40O3Si
- SMILES
-
COC(=O)C1(C)CCCC2(C)C1CC(O[Si]
(C)(C)C)C13CC4C(CC21)C4(C)C3 - Molecular Weight1
- 404.66
- 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 | 0.5839 | Relay (1.0) Calculated Property | |
| ΔfG° | -90.59 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -723.75 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 107.84 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.93 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.33 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.648 | Crippen Calculated Property | |
| Pc | 685.52 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2399.00 | NIST | |
| Tboil | 629.34 | K | Relay (1.0) Calculated Property |
| Tc | 937.01 | K | Relay (1.0) Calculated Property |
| Tfus | 392.40 | K | Relay (1.0) Calculated Property |
| Vc | 1.280 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to ent-7«alpha»-Hydroxy trachylobanic acid, Me-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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