|
FW:
|
132.083
|
|
MF:
|
C6H3F3
|
|
Refractive_Index:
|
1.428
|
|
Bolling_Point:
|
93.5±20.0 °C at 760 mmHg
|
|
Exact_Mass:
|
132.018692
|
|
Vapor_Pressure:
|
56.1±0.2 mmHg at 25°C
|
|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :N/A ', '6. TPSA 0 ', '7. Heavy Atom Count :9 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :843 ', '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']
|
|
Molecular_Structure:
|
['1 . Molar refractive index 2623 ', '2 . Molar volume 1020 ', '3 . Parachor （902K）2286 ', '4 . Surface tension : 251 ', '5 . Dielectric constant 无可用 ', '6 偶极距（10-24cm3）无可用 ', '7 . Polarizability 1040']
|
|
LogP:
|
2.23
|
|
Flash_Point:
|
-3.9±0.0 °C
|
|
Density:
|
1.3±0.1 g/cm3
|
|
More_Info:
|
['1 . Appearance Colourless 透明Liquid 。 ', '2 . Density（g/mL,25/4℃） 128 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）94-95 ', '6 . Boiling point（ºC,52kPa） Unknow ', '7 . Refractive index 1423 ', '8 . Flash point（ºC） -3 ', '9 气相标准声称热(焓)( kJ·mol-1) -4598 ', '10 气相标准熵(J·mol-1·K-1) 33814 ', '11 气相标准生成自由能( kJ·mol-1)-4008 ', '12 气相标准热熔(J·mol-1·K-1)11840 ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC） Unknow ', '15 . Critical pressure（KPa） Unknow ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient Unknow ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V） Unknow ', '19 . Solubility 难Soluble in Water 。']
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