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Molecular_Structure:
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['1. Molar refractive index 70549 ', '2. Molar volume 22419 ', '3. Parachor （902K）56846 ', '4. Surface tension 413 ', '5. Dielectric constant N/A ', '6. Polarizability 27967 ', '7. Single isotope mass 2284054626 Da ', '8. Nominal mass 2282 Da ', '9. Average mass 22856118 Da']
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Flash_Point:
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275 °C
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Refractive_Index:
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1.541
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FW:
|
2285.61000
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Density:
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1.019g/cm3
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Computational_Chemistry:
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['1. XlogP :298 ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :32 ', '4. Rotatable Bond Count :55 ', '5. Isotope Atom Count :6 ', '6. TPSA 237 ', '7. Heavy Atom Count :164 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :3790 ', '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:
|
25.45640
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Melting_Point:
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146-150 °C(lit.)
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|
PSA:
|
237.06000
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MF:
|
C132H250N32
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More_Info:
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['1 . Appearance Unknow ', '2 . Density（g/mL,25ºC）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）146-150 ', '5 . Boiling point（ºC）Unknow ', '6 . Boiling point（ºC，50mmHg）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（°C）Unknow ', '9 . Specific rotation（ºF）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（kPa,20ºC）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 能Soluble in Water 的']
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Exact_Mass:
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2284.05000
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