- InChI
- InChI=1S/C31H61NO5Si3/c1-23(2)22-34-28(33)32-21-27(37-40(16,17)31(9,10)11)24-18-19-25(35-38(12,13)29(3,4)5)26(20-24)36-39(14,15)30(6,7)8/h18-20,23,27H,21-22H2,1-17H3,(H,32,33)
- InChI Key
- HZPRZAZRYAOFIU-UHFFFAOYSA-N
- Formula
- C31H61NO5Si3
- SMILES
-
CC(C)COC(=O)NCC(O[Si](C)(C)C(C
)(C)C)c1ccc(O[Si](C)(C)C(C)(C) C)c(O[Si](C)(C)C(C)(C)C)c1 - Molecular Weight1
- 612.08
- 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 | 1.0738 | Relay (1.0) Calculated Property | |
| ΔfG° | -203.71 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1459.06 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 99.91 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.10 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.70 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.900 | Crippen Calculated Property | |
| Pc | 231.61 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 3205.00 | NIST | |
| Tboil | 683.32 | K | Relay (1.0) Calculated Property |
| Tc | 961.58 | K | Relay (1.0) Calculated Property |
| Tfus | 354.86 | K | Relay (1.0) Calculated Property |
| Vc | 2.004 | 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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