|
Bolling_Point:
|
243.5ºC at 760mmHg
|
|
Vapor_Pressure:
|
0.032mmHg at 25°C
|
|
LogP:
|
2.26040
|
|
More_Info:
|
['1. Appearance Colourless 结晶 ', '2. Melting point（℃）88~89 ', '3Octanol /Water 分配系数221 ', '4. Solubility Insoluble in Water ，Soluble in 苯热四氯化碳等。']
|
|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :2 ', '6. TPSA 291 ', '7. Heavy Atom Count :13 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :184 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
|
|
Melting_Point:
|
86-90 °C
|
|
Exact_Mass:
|
189.04000
|
|
MF:
|
C8H6F3NO
|
|
Density:
|
1.361g/cm3
|
|
Refractive_Index:
|
1.501
|
|
PSA:
|
29.10000
|
|
Flash_Point:
|
101.1ºC
|
|
Molecular_Structure:
|
['1. Molar refractive index 4098 ', '2. Molar volume 1389 ', '3. Parachor （902K）3346 ', '4. Surface tension 336 ', '5. Dielectric constant N/A ', '6. Polarizability 1624 ', '7. Single isotope mass 189040148 Da ', '8. Nominal mass 189 Da ', '9. Average mass 1891345 Da']
|
|
FW:
|
189.13500
|
