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Molecular_Structure:
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['1. Molar refractive index 16853 ', '2. Molar volume 5407 ', '3. Parachor （902K）13001 ', '4. Surface tension 334 ', '5. Dielectric constant N/A ', '6. Polarizability 6681 ', '7. Single isotope mass 546418529 Da ', '8. Nominal mass 546 Da ', '9. Average mass 5468262 Da']
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Flash_Point:
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421.6±20.8 °C
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Refractive_Index:
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1.536
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FW:
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546.826
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Density:
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1.0±0.1 g/cm3
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Bolling_Point:
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615.2±55.0 °C at 760 mmHg
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Computational_Chemistry:
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['1 . XlogP 95 ', '2 . Hydrogen Bond Donor Count 2 ', '3 . Hydrogen Bond Acceptor Count 4 ', '4 . Rotatable Bond Count 8 ', '5 . Isotope Atom Count 6 ', '6 . TPSA 582 ', '7 . Heavy Atom Count 40 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 1110 ', '10. Isotope Atom Count 0 ', '11. Defined Atom Stereocenter Count 2 ', '12. Undefined Atom Stereocenter Count 0 ', '13. Defined Bond Stereocenter Count 0 ', '14. Undefined Bond Stereocenter Count 2 ', '15. Covalently-Bonded Unit Count 1']
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LogP:
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11.18
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Melting_Point:
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203-206ºC(lit.)
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PSA:
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65.18000
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MF:
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C36H54N2O2
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More_Info:
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['1 . Appearance Yellow 粉末 ', '2 . Density（g/mL,20℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）203-206 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,KPa）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC）Unknow ', '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 可Soluble in Water ']
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Vapor_Pressure:
|
0.0±1.8 mmHg at 25°C
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Exact_Mass:
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546.418518
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