- InChI
- InChI=1S/C27H44O5Si/c1-8-18(3)27(29)31-24-14-17(2)13-20-10-9-19(4)23(26(20)24)12-11-21-15-22(16-25(28)30-21)32-33(5,6)7/h9-10,13,17-19,21-24,26H,8,11-12,14-16H2,1-7H3
- InChI Key
- CZWIDMHJBWCSKO-UHFFFAOYSA-N
- Formula
- C27H44O5Si
- SMILES
-
CCC(C)C(=O)OC1CC(C)C=C2C=CC(C)
C(CCC3CC(O[Si](C)(C)C)CC(=O)O3 )C21 - Molecular Weight1
- 476.72
- 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 | 0.7670 | Relay (1.0) Calculated Property | |
| ΔfG° | -257.36 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1190.58 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 120.95 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.23 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.38 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.055 | Crippen Calculated Property | |
| Pc | 35.34 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [3053.00; 3053.00] |
|
|
| Inp | 3053.00 | NIST | |
| Inp | 3053.00 | NIST | |
| Tboil | 702.30 | K | Relay (1.0) Calculated Property |
| Tc | 928.49 | K | Relay (1.0) Calculated Property |
| Tfus | 394.62 | K | Relay (1.0) Calculated Property |
| Vc | 1.430 | 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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