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Molecular_Structure:
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['五分子性质数据 ', '1 . Molar refractive index 7009 ', '2 . Molar volume （m3/mol）1864 ', '3 . Parachor （902K）4955 ', '4 . Surface tension 498 ', '5 . Dielectric constant N/A ', '6 偶极距（10 -24cm 3）N/A ', '7 . Polarizability 2778']
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Flash_Point:
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160.3ºC
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Refractive_Index:
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1.675
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FW:
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210.27100
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Density:
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1.127g/cm3
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Bolling_Point:
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368.5ºC at 760 mmHg
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Computational_Chemistry:
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['1 . XlogP 39 ', '2 . Hydrogen Bond Donor Count 1 ', '3 . Hydrogen Bond Acceptor Count 1 ', '4 . Rotatable Bond Count 3 ', '5 . Isotope Atom Count ', '6 . TPSA 202 ', '7 . Heavy Atom Count 16 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 208 ', '10. Isotope Atom Count 0 ', '11. Defined Atom Stereocenter Count 0 ', '12. Undefined Atom Stereocenter Count 0 ', '13. Defined Bond Stereocenter Count 1 ', '14. Undefined Bond Stereocenter Count 0 ', '15. Covalently-Bonded Unit Count 1']
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LogP:
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3.34930
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Melting_Point:
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155-160ºC(lit.)
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PSA:
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20.23000
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MF:
|
C15H14O
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More_Info:
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['1 . Appearance 粉末 ', '2 . Density（g/mL,25ºC）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）155-160 ', '5 . Boiling point（ºC）Unknow ', '6 . Boiling point（ºC，1mmHg）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（°F）Unknow ', '9 . Specific rotation（ºF）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（kPa,25ºC）Unknow ', '12 . Saturated vapor pressure（kPa,110ºC）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:
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4.43E-06mmHg at 25°C
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Exact_Mass:
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210.10400
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