- 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] | 
|
|
T(K) Solid phase heat capacity (J/mol×K) 180 185 190 195 200 205 300 320 340 | ||||
| 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] |
|
|
T(K) Sublimation pressure (kPa) 1.00e-5 2.00e-5 3.00e-5 4.00e-5 5.00e-5 6.00e-5 375 380 385 390 | ||||
| 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
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.