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Refractive_Index:
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n20/D 1.5645(lit.)
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Flash_Point:
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>230 °F
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LogP:
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3.19580
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Bolling_Point:
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120 °C (2 mmHg)
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FW:
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218.19900
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PSA:
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17.07000
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Computational_Chemistry:
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['1. XlogP :35 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :N/A ', '6. TPSA 171 ', '7. Heavy Atom Count :16 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :238 ', '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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MF:
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C13H8F2O
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Exact_Mass:
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218.05400
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Molecular_Structure:
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['1 . Molar refractive index 5603 ', '2 . Molar volume （m3/mol）1759 ', '3 . Parachor （902K）4411 ', '4 . Surface tension 395 ', '5 . Polarizability 2221']
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Density:
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1.244 g/mL at 25 °C(lit.)
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More_Info:
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['1 . Appearance Colourless or 棕色Liquid ', '2 . Density（g/cm3 20 ℃）124 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC ，15mmHg）119-120 ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 . Refractive index（°）15645 ', '8 . Flash point（℉）＞230 ', '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 （25℃）Unknow ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow . Solubility (g/L ， 2 0 ℃ ) Water 不能拌and or 难以拌and 的']
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