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Molecular_Structure:
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['1 . Molar refractive index 3673 ', '2 . Molar volume （m3/mol）1075 ', '3 . Parachor （902K）3150 ', '4 . Surface tension 737 ', '5 . Polarizability （10 -24cm 3）1456']
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Flash_Point:
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253.7±30.2 °C
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Refractive_Index:
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1.599
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FW:
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196.114
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Density:
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1.8±0.1 g/cm3
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Bolling_Point:
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545.3±50.0 °C at 760 mmHg
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Computational_Chemistry:
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['1. XlogP :-12 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :6 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :7 ', '6. TPSA 867 ', '7. Heavy Atom Count :14 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :323 ', '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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LogP:
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-1.89
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Melting_Point:
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>300 °C(lit.)
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|
PSA:
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86.74000
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MF:
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C8H4O6
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More_Info:
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['1 . Appearance White 粉末 ', '2 . Density（g/mL）不确定 ', '3 . Relative vapor density（g/mL,Atmosphere =1）不确定 ', '4 . Melting point（ºC）>300 ', '5 . Boiling point（ºC）不确定 ', '6 . Boiling point（ºC,17mmHg）不确定 ', '7 . Refractive index不确定 ', '8 . Flash point（ºC）不确定 ', '9 . Specific rotation（º）不确定 ', '10 . Spontaneous ignition point or ignition temperature（ºC）不确定 ', '11 蒸汽压（20ºC）不确定 ', '12 . Saturated vapor pressure（kPa,60ºC）不确定 ', '13 . Combustion heat（KJ/mol）不确定 ', '14 . Critical temperature（ºC）不确定 ', '15 . Critical pressure（KPa）不确定 ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient 不确定 ', '17 . Upper limit of explosion（%,V/V）不确定 ', '18 . Lower limit of explosion（%,V/V）不确定 ', '19 . Solubility 不确定']
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Vapor_Pressure:
|
0.0±1.5 mmHg at 25°C
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Exact_Mass:
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196.000793
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