- InChI
- InChI=1S/C18H26N2O8Si3/c1-29(2,25-17-13-9-7-11-15(17)19(21)22)27-31(5,6)28-30(3,4)26-18-14-10-8-12-16(18)20(23)24/h7-14H,1-6H3
- InChI Key
- IABWKUFZEIKRAO-UHFFFAOYSA-N
- Formula
- C18H26N2O8Si3
- SMILES
-
C[Si](C)(Oc1ccccc1[N+](=O)[O-]
)O[Si](C)(C)O[Si](C)(C)Oc1cccc c1[N+](=O)[O-] - Molecular Weight1
- 482.66
- 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 | 0.9638 | Relay (... Calculated Property | |
| ΔfG° | -14.05 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -876.18 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 97.87 | kJ/mol | Relay (... Calculated Property |
| IE | 9.36 | eV | Relay (... Calculated Property |
| log10WS | -5.04 | Relay (... Calculated Property | |
| logPoct/wat | 5.099 | Crippen Calculated Property | |
| Pc | 713.66 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2672.00; 2672.00] |
|
|
| Inp | 2672.00 | NIST | |
| Inp | 2672.00 | NIST | |
| Tboil | 634.58 | K | Relay (... Calculated Property |
| Tc | 950.11 | K | Relay (... Calculated Property |
| Tfus | 320.88 | K | Relay (... Calculated Property |
| Vc | 1.309 | 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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