Molecular_Structure:
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['1. Molar refractive index 19756 ', '2. Molar volume 6326 ', '3. Parachor (902K)16871 ', '4. Surface tension 505 ', '5. Dielectric constant N/A ', '6. Polarizability 7832 ', '7. Single isotope mass 748508526 Da ', '8. Nominal mass 748 Da ', '9. Average mass 7489845 Da']
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LogP:
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1.71000
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Flash_Point:
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451ºC
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FW:
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785.015
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Density:
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1.18g/cm3
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Bolling_Point:
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822.1ºC at 760mmHg
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Computational_Chemistry:
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['1 . XlogP ', '2 . Hydrogen Bond Donor Count 7 ', '3 . Hydrogen Bond Acceptor Count 16 ', '4 . Rotatable Bond Count 7 ', '5 . Isotope Atom Count ', '6 . TPSA 182 ', '7 . Heavy Atom Count 54 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 1150 ', '10. Isotope Atom Count 0 ', '11. Defined Atom Stereocenter Count 18 ', '12. Undefined Atom Stereocenter Count 0 ', '13. Defined Bond Stereocenter Count 0 ', '14. Undefined Bond Stereocenter Count 0 ', '15. Covalently-Bonded Unit Count 3']
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Melting_Point:
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113-115ºC
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PSA:
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198.54000
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MF:
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C38H76N2O14
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More_Info:
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['1 . Appearance Unknow ', '2 . Density(g/mL,20℃)Unknow ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)126 ', '5 . Boiling point(ºC,Atmospheric pressure)Unknow ', '6 . Boiling point(ºC,KPa)Unknow ', '7 . Refractive index-47º(C=2,EtOH) ', '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 Unknow']
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Vapor_Pressure:
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2.51E-31mmHg at 25°C
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Exact_Mass:
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784.529663
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