- InChI
- InChI=1S/C6H3F3OS/c7-6(8,9)5(10)4-2-1-3-11-4/h1-3H
- InChI Key
- CZYKJGCKVBXLGF-UHFFFAOYSA-N
- Formula
- C6H3F3OS
- SMILES
- O=C(c1cccs1)C(F)(F)F
- Molecular Weight1
- 180.15
- CAS
- 651-70-7
- Other Names
-
- 2-(Trifluoroacetyl)thiophene
- 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.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- 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 | 0.3135 | Relay (1.0) Calculated Property | |
| ΔfG° | -629.61 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -691.01 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 50.05 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.70 ± 0.05 | eV | NIST |
| log10WS | -1.64 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.493 | Crippen Calculated Property | |
| McVol | 99.170 | ml/mol | McGowan Calculated Property |
| Pc | 3034.68 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 424.12 | K | Relay (1.0) Calculated Property |
| Tc | 603.18 | K | Relay (1.0) Calculated Property |
| Tfus | 228.61 | K | Relay (1.0) Calculated Property |
| Vc | 0.348 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Ethanone,2,2,2-trifluoro-1-(2-thienyl)-.
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
- McGowan Method
- NIST Webbook
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