- InChI
- InChI=1S/C24H36O3Si2/c1-24-13-12-19-18-11-9-17(26-28(2,3)4)14-16(18)8-10-20(19)21(24)15-22(23(24)25)27-29(5,6)7/h9,11,14-15,19-21H,8,10,12-13H2,1-7H3/t19-,20?,21+,24+/m0/s1
- InChI Key
- LFFOMNXPQKCPPR-JDQHOHPRSA-N
- Formula
- C24H36O3Si2
- SMILES
-
CC12CCC3c4ccc(O[Si](C)(C)C)cc4
CCC3C1C=C(O[Si](C)(C)C)C2=O - Molecular Weight1
- 428.71
- 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 | 0.6883 | Relay (1.0) Calculated Property | |
| ΔfG° | -20.13 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -653.99 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 103.98 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.21 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.03 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.281 | Crippen Calculated Property | |
| Pc | 292.25 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2689.00; 2712.00] |
|
|
| Inp | 2689.00 | NIST | |
| Inp | 2712.00 | NIST | |
| Inp | 2689.00 | NIST | |
| Tboil | 677.74 | K | Relay (1.0) Calculated Property |
| Tc | 943.94 | K | Relay (1.0) Calculated Property |
| Tfus | 392.65 | K | Relay (1.0) Calculated Property |
| Vc | 1.325 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
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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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