- InChI
- InChI=1S/C16H18FNO3Si/c1-22(2,12-13-6-4-3-5-7-13)21-11-14-10-15(18(19)20)8-9-16(14)17/h3-10H,11-12H2,1-2H3
- InChI Key
- OOEFYGJEQMJOIV-UHFFFAOYSA-N
- Formula
- C16H18FNO3Si
- SMILES
-
C[Si](C)(Cc1ccccc1)OCc1cc([N+]
(=O)[O-])ccc1F - Molecular Weight1
- 319.40
- 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 | 0.6906 | Relay (1.0) Calculated Property | |
| ΔfG° | 101.25 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -337.30 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 99.00 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.99 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.94 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.237 | Crippen Calculated Property | |
| Pc | 1718.67 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2201.00; 2201.00] |
|
|
| Inp | 2201.00 | NIST | |
| Inp | 2201.00 | NIST | |
| Tboil | 626.49 | K | Relay (1.0) Calculated Property |
| Tc | 895.15 | K | Relay (1.0) Calculated Property |
| Tfus | 330.83 | K | Relay (1.0) Calculated Property |
| Vc | 0.849 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2-Fluoro-5-nitrobenzyl alcohol, benzyldimethylsilyl ether.
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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