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Molecular_Structure:
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['1 . Molar refractive index 2929 ', '2 . Molar volume （m3/mol）1078 ', '3 . Parachor （902K）2677 ', '4 . Surface tension : 380 ', '5 . Dielectric constant 无可用 ', '6 偶极距（10 -24cm 3）无可用 ', '7 . Polarizability 1161']
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Flash_Point:
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92.3±25.9 °C
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Refractive_Index:
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1.456
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FW:
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164.085
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Density:
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1.5±0.1 g/cm3
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Bolling_Point:
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229.0±35.0 °C at 760 mmHg
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Computational_Chemistry:
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['1. XlogP :02 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :3 ', '6. TPSA 415 ', '7. Heavy Atom Count :11 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :241 ', '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']
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LogP:
|
0.74
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Melting_Point:
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169-171 °C(lit.)
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PSA:
|
46.01000
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MF:
|
C5H3F3N2O
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|
More_Info:
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['1 . Appearance Unknow。 ', '2 . Density（g/mL,25/4℃） Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）169-171 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,52kPa） Unknow ', '7 . Refractive index Unknow ', '8 . Flash point（ºC） Unknow ', '9 . Specific rotation（º） Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC） Unknow ', '11 . Vapor pressure（kPa,25ºC） Unknow ', '12 . Saturated vapor pressure（kPa,60ºC） Unknow ', '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 Unknow']
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Vapor_Pressure:
|
0.0±0.5 mmHg at 25°C
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Exact_Mass:
|
164.019745
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