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Molecular_Structure:
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['1. Molar refractive index 23 ', '2. Molar volume 1077 ', '3. Parachor (902K)2209 ', '4. Surface tension 176 ', '5. Dielectric constant N/A ', '6. Polarizability 911 ', '7. Single isotope mass 133017304Da ', '8. Nominal mass 133Da ', '9. Average mass 1331359Da']
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LogP:
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1.92110
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Flash_Point:
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10ºC
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FW:
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133.13600
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Density:
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1.23g/cm3
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Bolling_Point:
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117.5ºC(lit.)
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Computational_Chemistry:
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['1 . XlogP 28 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 4 ', '4 . Rotatable Bond Count 0 ', '5 . Isotope Atom Count ', '6 . TPSA 32 ', '7 . Heavy Atom Count 7 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 584 ', '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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Melting_Point:
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-78.7ºC(lit.)
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PSA:
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28.54000
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Exact_Mass:
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133.01700
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More_Info:
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['1 . Appearance 透明Liquid ', '2 . Density(g/mL,25℃)1364 ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)-787 ', '5 . Boiling point(ºC,Atmospheric pressure)1175 ', '6 . Boiling point(ºC,15mmHg)Unknow ', '7 . Refractive index(n20/D)Unknow ', '8 . Flash point(ºC)10 ', '9 . Specific rotation(º)Unknow ', '10 . Spontaneous ignition point or ignition temperature(ºC)Unknow ', '11 . Vapor pressure(mPa,20ºC)Unknow ', '12 . Saturated vapor pressure(kPa,25ºC)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 与Water 反应']
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MF:
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C2H6F3NS
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