- InChI
- InChI=1S/C19H38N2O6Si3/c1-13-11-21(19(23)20-17(13)22)18-16(27-30(8,9)10)15(26-29(5,6)7)14(25-18)12-24-28(2,3)4/h11,14-16,18H,12H2,1-10H3,(H,20,22,23)
- InChI Key
- NPQPNHPRBSPWIM-UHFFFAOYSA-N
- Formula
- C19H38N2O6Si3
- SMILES
-
Cc1cn(C2OC(CO[Si](C)(C)C)C(O[S
i](C)(C)C)C2O[Si](C)(C)C)c(=O) [nH]c1=O - Molecular Weight1
- 474.77
- 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 | 0.8213 | Relay (... Calculated Property | |
| ΔfG° | -344.19 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1324.30 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 114.07 | kJ/mol | Relay (... Calculated Property |
| IE | 8.51 | eV | Relay (... Calculated Property |
| log10WS | -2.35 | Relay (... Calculated Property | |
| logPoct/wat | 2.552 | Crippen Calculated Property | |
| Pc | 447.71 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2478.00; 2478.00] |
|
|
| Inp | 2478.00 | NIST | |
| Inp | 2478.00 | NIST | |
| Tboil | 674.21 | K | Relay (... Calculated Property |
| Tc | 906.85 | K | Relay (... Calculated Property |
| Tfus | 368.96 | K | Relay (... Calculated Property |
| Vc | 1.436 | m3/kmol | Relay (... 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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