- InChI
- InChI=1S/C5H3F3N2O2/c6-5(7,8)2-1-3(11)10-4(12)9-2/h1H,(H2,9,10,11,12)
- InChI Key
- IROWWTVZNHKLLE-UHFFFAOYSA-N
- Formula
- C5H3F3N2O2
- SMILES
- Oc1cc(C(F)(F)F)nc(O)n1
- Molecular Weight1
- 180.08
- CAS
- 672-45-7
- Other Names
-
- Uracil, 6-(trifluoromethyl)-
- 6-(Trifluoromethyl)uracil
- 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 | 0.6678 | Relay (1.0) Calculated Property | |
| ΔfG° | -599.18 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -942.37 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 125.26 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.09 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.54 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.907 | Crippen Calculated Property | |
| McVol | 94.560 | ml/mol | McGowan Calculated Property |
| Pc | 4631.64 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 470.43 | K | Relay (1.0) Calculated Property |
| Tc | 717.04 | K | Relay (1.0) Calculated Property |
| Tfus | 482.46 | K | Relay (1.0) Calculated Property |
| Vc | 0.340 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2,4(1H,3H)-Pyrimidinedione, 6-(trifluoromethyl)-.
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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