- InChI
- InChI=1S/C5H3F3N2O2/c6-5(7,8)2-1-9-4(12)10-3(2)11/h1H,(H2,9,10,11,12)
- InChI Key
- LMNPKIOZMGYQIU-UHFFFAOYSA-N
- Formula
- C5H3F3N2O2
- SMILES
- O=c1[nH]cc(C(F)(F)F)c(=O)[nH]1
- Molecular Weight1
- 180.08
- CAS
- 54-20-6
- Other Names
-
- 1,2,3,4-Tetrahydropyrazin-2,4-dione, 5-trifluoromethyl-
- 5-(Trifluoromethyl)uracil
- 5-Trifluoromethyl-1H-pyrimidine-2,4-dione
- F3T
- L 595725-0-1
- TFT
- Trifluorothymine
- Uracil, 5-(trifluoromethyl)-
- Cp,solid : Solid phase heat capacity (J/mol×K).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Psub : Sublimation pressure (kPa).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔsubH° | 110.80 ± 0.90 | kJ/mol | NIST |
| log10WS | 0.14 | Crippen Calculated Property | |
| logPoct/wat | -0.882 | Crippen Calculated Property | |
| McVol | 94.560 | ml/mol | McGowan Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,solid | [182.20; 206.60] | J/mol×K | [298.15; 343.15] | 
|
| Cp,solid | 182.20 | J/mol×K | 298.15 | Heat Ca... |
| Cp,solid | 183.90 | J/mol×K | 303.15 | Heat Ca... |
| Cp,solid | 188.10 | J/mol×K | 308.15 | Heat Ca... |
| Cp,solid | 190.30 | J/mol×K | 313.15 | Heat Ca... |
| Cp,solid | 192.20 | J/mol×K | 318.15 | Heat Ca... |
| Cp,solid | 195.90 | J/mol×K | 323.15 | Heat Ca... |
| Cp,solid | 198.20 | J/mol×K | 328.15 | Heat Ca... |
| Cp,solid | 199.40 | J/mol×K | 333.15 | Heat Ca... |
| Cp,solid | 204.40 | J/mol×K | 338.15 | Heat Ca... |
| Cp,solid | 206.60 | J/mol×K | 343.15 | Heat Ca... |
| ΔsubH | 108.50 ± 0.90 | kJ/mol | 382.50 | NIST |
| Psub | [1.17e-05; 6.45e-05] | kPa | [373.02; 392.01] |
|
| Psub | 1.19e-05 | kPa | 373.02 | Vapor p... |
| Psub | 1.17e-05 | kPa | 373.02 | Vapor p... |
| Psub | 1.38e-05 | kPa | 374.94 | Vapor p... |
| Psub | 2.01e-05 | kPa | 378.75 | Vapor p... |
| Psub | 2.42e-05 | kPa | 380.67 | Vapor p... |
| Psub | 2.88e-05 | kPa | 382.54 | Vapor p... |
| Psub | 3.35e-05 | kPa | 384.45 | Vapor p... |
| Psub | 3.98e-05 | kPa | 386.35 | Vapor p... |
| Psub | 4.61e-05 | kPa | 388.25 | Vapor p... |
| Psub | 5.59e-05 | kPa | 390.15 | Vapor p... |
| Psub | 6.40e-05 | kPa | 392.01 | Vapor p... |
| Psub | 6.45e-05 | kPa | 392.01 | Vapor p... |
Similar Compounds
Find more compounds similar to 2,4(1H,3H)-Pyrimidinedione, 5-(trifluoromethyl)-.
Mixtures
- 2,4(1H,3H)-Pyrimidinedione, 5-(trifluoromethyl)- + Water
- 2,4(1H,3H)-Pyrimidinedione, 5-(trifluoromethyl)- + Methyl Alcohol
Sources
- Crippen Method
- Crippen Method
- Vapor pressures, molar enthalpies of sublimation and molar enthalpies of solution in water of 5-trifluoromethyluracil
- Thermodynamic Investigation of Uracil and Its Halo Derivatives. Enthalpies of Solution and Solvation in Methanol
- Heat Capacities of Uracil, Thymine, and Its Alkylated, Cyclooligomethylenated, and Halogenated Derivatives by Differential Calorimetry
- Solubilities in Water of Uracil and Its Halogenated Derivatives
- McGowan Method
- NIST Webbook
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