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Molecular_Structure:
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['1 . Molar refractive index 14513 ', '2 . Molar volume 4275 ', '3 . Parachor （902K）11105 ', '4 . Surface tension 455 ', '5 . Polarizability 5753 ', '6 . Dielectric constant 未确定']
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Flash_Point:
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357.5±31.5 °C
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Refractive_Index:
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1.594
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FW:
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497.585
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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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667.5±55.0 °C at 760 mmHg
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Computational_Chemistry:
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['1 . XlogP 54 ', '2 . Hydrogen Bond Donor Count 2 ', '3 . Hydrogen Bond Acceptor Count 5 ', '4 . Rotatable Bond Count 10 ', '5 . Isotope Atom Count 2 ', '6 . TPSA 935 ', '7 . Heavy Atom Count 37 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 703 ', '10. Isotope Atom Count 0 ', '11. Defined Atom Stereocenter Count 1 ', '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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5.59
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Melting_Point:
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~130 °C (dec.)
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PSA:
|
93.45000
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MF:
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C30H31N3O4
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More_Info:
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['1 . Appearance White 粉末 ', '2 . Density（g/mLat 25°C）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）130 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,20mmHg）Unknow ', '7 . Refractive index（n20/D）Unknow ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（mmHg,30ºC）Unknow ', '12 . Saturated vapor pressure（kPa,1144 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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Vapor_Pressure:
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0.0±2.1 mmHg at 25°C
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Exact_Mass:
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497.231445
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