- InChI
- InChI=1S/C10H12F4OSi/c1-16(2,3)15-8-6-4-5-7(9(8)11)10(12,13)14/h4-6H,1-3H3
- InChI Key
- AGHRGYJANRIOCR-UHFFFAOYSA-N
- Formula
- C10H12F4OSi
- SMILES
-
C[Si](C)(C)Oc1cccc(C(F)(F)F)c1
F - Molecular Weight1
- 252.28
- Other Names
-
- 2-Fluoro-3-(trifluoromethyl)phenol, tms derivative
- 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 | 0.4448 | Relay (... Calculated Property | |
| ΔfG° | -739.29 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1092.02 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 48.95 | kJ/mol | Relay (... Calculated Property |
| IE | 9.51 | eV | Relay (... Calculated Property |
| log10WS | -3.02 | Relay (... Calculated Property | |
| logPoct/wat | 4.058 | Crippen Calculated Property | |
| Pc | 1798.39 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 1057.10 | NIST | |
| Tboil | 449.21 | K | Relay (... Calculated Property |
| Tc | 626.13 | K | Relay (... Calculated Property |
| Tfus | 282.23 | K | Relay (... Calculated Property |
| Vc | 0.627 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 2-Fluoro-3-(trifluoromethyl)phenol, trimethylsilyl 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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