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Molecular_Structure:
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['1 . Molar refractive index 3821 ', '2 . Molar volume （m3/mol）1461 ', '3 . Parachor （902K）3252 ', '4 . Surface tension 245 ', '5 . Dielectric constant ', '6 偶极距（10 -24cm 3） ', '7 . Polarizability 1514']
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LogP:
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3.63
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Flash_Point:
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40.7±21.8 °C
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Refractive_Index:
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1.436
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FW:
|
176.136
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Density:
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1.2±0.1 g/cm3
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Bolling_Point:
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134.2±35.0 °C at 760 mmHg
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Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA 92 ', '7. Heavy Atom Count :12 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :136 ', '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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|
PSA:
|
9.23000
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MF:
|
C8H7F3O
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|
More_Info:
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['1 . Appearance Liquid 。 ', '2 . Density（g/mL,25/4℃）118 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）134-135 ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 . Refractive index1416 ', '8 . Flash point（ºC）31 ', '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:
|
10.1±0.2 mmHg at 25°C
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|
Exact_Mass:
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176.044907
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