- InChI
- InChI=1S/C16H14F5NO4Si/c1-25-10-5-4-8(6-9(10)22(23)24)7-26-27(2,3)16-14(20)12(18)11(17)13(19)15(16)21/h4-6H,7H2,1-3H3
- InChI Key
- GSGLEVLPWKOVAM-UHFFFAOYSA-N
- Formula
- C16H14F5NO4Si
- SMILES
-
COc1ccc(CO[Si](C)(C)c2c(F)c(F)
c(F)c(F)c2F)cc1[N+](=O)[O-] - Molecular Weight1
- 407.36
- 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 | 0.8422 | Relay (... Calculated Property | |
| ΔfG° | -670.54 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1046.56 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 90.86 | kJ/mol | Relay (... Calculated Property |
| IE | 8.85 | eV | Relay (... Calculated Property |
| log10WS | -6.07 | Relay (... Calculated Property | |
| logPoct/wat | 3.928 | Crippen Calculated Property | |
| Pc | 1453.82 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2317.00; 2317.00] |
|
|
| Inp | 2317.00 | NIST | |
| Inp | 2317.00 | NIST | |
| Tboil | 609.65 | K | Relay (... Calculated Property |
| Tc | 867.65 | K | Relay (... Calculated Property |
| Tfus | 339.42 | K | Relay (... Calculated Property |
| Vc | 0.907 | 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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