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Molecular_Structure:
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['1. Molar refractive index N/A ', '2. Molar volume N/A ', '3. Parachor （902K）N/A ', '4. Surface tension N/A ', '5. Dielectric constant N/A ', '6. Polarizability N/A ', '7. Single isotope mass 554101565 Da ', '8. Nominal mass 554 Da ', '9. Average mass 5543786 Da']
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LogP:
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6.38890
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Flash_Point:
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182.8ºC
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FW:
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558.410
|
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Bolling_Point:
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363.8ºC at 760mmHg
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Computational_Chemistry:
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['1 . Hydrogen Bond Donor Count 0 ', '2 . Hydrogen Bond Acceptor Count 10 ', '3 . Rotatable Bond Count 6 ', '4 . TPSA 0 ', '5 . Heavy Atom Count 37 ', '6 . Topological Polar Surface Area -10 ', '7 . Complexity 276 ', '8 . Isotope Atom Count 0 ', '9 . Defined Atom Stereocenter Count 0 ', '10 . Undefined Atom Stereocenter Count 0 ', '11 . Defined Bond Stereocenter Count 0 ', '12 . Undefined Bond Stereocenter Count 0 ', '13 . Covalently-Bonded Unit Count 3']
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Melting_Point:
|
181-182 °C (dec.)(lit.)
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PSA:
|
27.18000
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MF:
|
C34H28FeP2
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|
More_Info:
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['1 . Appearance Yellow 晶体 ', '2 . Density（g/mL, 20 ℃ ）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）181-182 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC，1mmHg）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（20ºC）Unknow ', '12 . Saturated vapor pressure（kPa,60ºC）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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Exact_Mass:
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558.132865
|
