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Molecular_Structure:
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['五分子性质数据 ', '1 . Molar refractive index 3735 ', '2 . Molar volume （m3/mol）1908 ', '3 . Parachor （902K）3933 ', '4 . Surface tension 180 ', '5 . Dielectric constant N/A ', '6 偶极距（10 -24cm 3）N/A ', '7 . Polarizability 1480']
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LogP:
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3.22710
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Flash_Point:
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170 °F
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Refractive_Index:
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n20/D 1.327(lit.)
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FW:
|
278.11600
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Density:
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1.528 g/mL at 25 °C(lit.)
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Bolling_Point:
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163-164 °C(lit.)
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Computational_Chemistry:
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['1. XlogP :34 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :10 ', '4. Rotatable Bond Count :5 ', '5. Isotope Atom Count :N/A ', '6. TPSA 202 ', '7. Heavy Atom Count :17 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :257 ', '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:
|
20.23000
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MF:
|
C7H7F9O
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|
More_Info:
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['1 . Appearance Liquid ', '2 . Density（g/mL,25℃）1528 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）163-164 ', '6 . Boiling point（ºC,KPa）Unknow ', '7 . Refractive indexn20/D 1327 ', '8 . Flash point（ºC）767 ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（Pa,20ºC）Unknow ', '12 . Saturated vapor pressure（KPa,20ºC）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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Exact_Mass:
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278.03500
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