- InChI
- InChI=1S/C8H5F3O3/c9-8(10,11)7(13)4-5(12)6-2-1-3-14-6/h1-3H,4H2
- InChI Key
- OWLPCALGCHDBCN-UHFFFAOYSA-N
- Formula
- C8H5F3O3
- SMILES
- O=C(CC(=O)C(F)(F)F)c1ccco1
- Molecular Weight1
- 206.12
- CAS
- 326-90-9
- Other Names
-
- 4,4,4-Trifluoro-1-(2-furyl)-1,3-butanedione
- 2-Furoyltrifluoroacetone
- 1,3-Butanedione, 4,4,4-trifluoro-1-(2-furanyl)-
- Furonyltrifluoroacetone
- Furoyltrifluoroacetone
- Perfluoroacetyl(2-furoyl)methane
- 1,3-Butanedione, 4,4,4-trifluoro-1-(2-furyl)-
- 4,4,4-Trifluoro-1-furan-2-yl-butane-1,3-dione
- 2-(1,3-Dioxo-4,4,4-trifluorobutyl)furan
- 4,4,4-Trifluoro-1-(2-furanyl)-1,3-butanedione
- NSC 9186
- 4,4,4-trifluoro-1-(2-furyl)butane-1,3-dione
- 4,4,4-Trifluoro-1-(2-furanyl)-butane-1,3-dione
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔsubH° : Enthalpy of sublimation 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 | 0.4261 | Relay (1.0) Calculated Property | |
| ΔfG° | -818.00 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -991.17 | kJ/mol | Relay (1.0) Calculated Property |
| ΔsubH° | 70.00 ± 10.00 | kJ/mol | NIST |
| ΔvapH° | 51.36 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.28 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.71 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.984 | Crippen Calculated Property | |
| McVol | 118.440 | ml/mol | McGowan Calculated Property |
| Pc | 2767.88 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 457.50 | K | Relay (1.0) Calculated Property |
| Tc | 623.76 | K | Relay (1.0) Calculated Property |
| Tfus | 296.63 | K | Relay (1.0) Calculated Property |
| Vc | 0.426 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 1-(2-Furyl)-4,4,4-trifluoro-1,3-butanedione.
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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