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Computational_Chemistry:
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['1. XlogP :28 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :98 ', '6. TPSA 544 ', '7. Heavy Atom Count :18 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :439 ', '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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Flash_Point:
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203.9±24.4 °C
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More_Info:
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['1 . Appearance 有色物质 ', '2 . Density（g/mL,25℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）141-143 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 . Refractive index-Unknow ', '8 . Flash point（ºF）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（mmHg,20ºC）Unknow ', '12 . Saturated vapor pressure（kPa,20 ºC）Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（MPa）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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PSA:
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54.37000
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Vapor_Pressure:
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0.0±0.9 mmHg at 25°C
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Density:
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1.2±0.1 g/cm3
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Refractive_Index:
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1.606
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FW:
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242.270
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LogP:
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4.08
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Bolling_Point:
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390.1±42.0 °C at 760 mmHg
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Exact_Mass:
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242.094299
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MF:
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C15H14O3
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Melting_Point:
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141-143ºC(lit.)
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Molecular_Structure:
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['1 . Molar refractive index 6761 ', '2 . Molar volume （m3/mol）1960 ', '3 . Parachor （902K）5243 ', '4 . Surface tension 511 ', '5 . Dielectric constant 无可用 ', '6 偶极距（10 -24cm 3）无可用 ', '7 . Polarizability 2680']
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