- InChI
- InChI=1S/C15H11F6NO3Si/c1-26(2,15-13(20)11(18)10(17)12(19)14(15)21)25-6-7-5-8(22(23)24)3-4-9(7)16/h3-5H,6H2,1-2H3
- InChI Key
- OCDSRXPLNOFKQC-UHFFFAOYSA-N
- Formula
- C15H11F6NO3Si
- SMILES
-
C[Si](C)(OCc1cc([N+](=O)[O-])c
cc1F)c1c(F)c(F)c(F)c(F)c1F - Molecular Weight1
- 395.33
- 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 | 0.7686 | Relay (1.0) Calculated Property | |
| ΔfG° | -730.03 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1060.42 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 92.57 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.66 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.21 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.058 | Crippen Calculated Property | |
| Pc | 1675.81 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2028.00; 2028.00] |
|
|
| Inp | 2028.00 | NIST | |
| Inp | 2028.00 | NIST | |
| Tboil | 587.08 | K | Relay (1.0) Calculated Property |
| Tc | 842.54 | K | Relay (1.0) Calculated Property |
| Tfus | 330.65 | K | Relay (1.0) Calculated Property |
| Vc | 0.846 | m3/kmol | Relay (1.0) 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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