- InChI
- InChI=1S/C15H11ClF5NO3Si/c1-26(2,15-13(20)11(18)10(17)12(19)14(15)21)25-6-7-5-8(16)3-4-9(7)22(23)24/h3-5H,6H2,1-2H3
- InChI Key
- QFBVAIOFAYFHOS-UHFFFAOYSA-N
- Formula
- C15H11ClF5NO3Si
- SMILES
-
C[Si](C)(OCc1cc(Cl)ccc1[N+](=O
)[O-])c1c(F)c(F)c(F)c(F)c1F - Molecular Weight1
- 411.78
- 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 | 0.7748 | Relay (... Calculated Property | |
| ΔfG° | -608.11 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -913.07 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 94.66 | kJ/mol | Relay (... Calculated Property |
| IE | 9.60 | eV | Relay (... Calculated Property |
| log10WS | -6.66 | Relay (... Calculated Property | |
| logPoct/wat | 4.573 | Crippen Calculated Property | |
| Pc | 1623.49 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2123.00; 2123.00] |
|
|
| Inp | 2123.00 | NIST | |
| Inp | 2123.00 | NIST | |
| Tboil | 604.13 | K | Relay (... Calculated Property |
| Tc | 864.11 | K | Relay (... Calculated Property |
| Tfus | 321.79 | K | Relay (... Calculated Property |
| Vc | 0.869 | 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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