- InChI
- InChI=1S/C18H39NO6Si3/c1-18(2,3)23-17(22)19(26(4,5)6)14(16(21)25-28(10,11)12)13-15(20)24-27(7,8)9/h14H,13H2,1-12H3
- InChI Key
- ONPZVPBRZWIHSM-UHFFFAOYSA-N
- Formula
- C18H39NO6Si3
- SMILES
-
CC(C)(C)OC(=O)N(C(CC(=O)O[Si](
C)(C)C)C(=O)O[Si](C)(C)C)[Si]( C)(C)C - Molecular Weight1
- 449.76
- 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 | 0.8311 | Relay (... Calculated Property | |
| ΔfG° | -495.50 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1584.82 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 79.88 | kJ/mol | Relay (... Calculated Property |
| IE | 8.94 | eV | Relay (... Calculated Property |
| log10WS | -3.42 | Relay (... Calculated Property | |
| logPoct/wat | 4.573 | Crippen Calculated Property | |
| Pc | 381.97 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [1824.80; 1824.80] |
|
|
| Inp | 1824.80 | NIST | |
| Inp | 1824.80 | NIST | |
| Tboil | 565.94 | K | Relay (... Calculated Property |
| Tc | 758.08 | K | Relay (... Calculated Property |
| Tfus | 330.74 | K | Relay (... Calculated Property |
| Vc | 1.448 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
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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