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Molecular_Structure:
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['分子性质数据 ', '1 . Molar refractive index 11507 ', '2 . Molar volume （m3/mol）2716 3 . Parachor （902K） 8709 ', '4 表面张力（30 dyne/cm）1056 ', '5 . Polarizability （05 10 -24cm 3）4561']
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LogP:
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0.71
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Flash_Point:
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430.4±35.7 °C
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Refractive_Index:
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1.790
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FW:
|
473.388
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Density:
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1.7±0.1 g/cm3
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Bolling_Point:
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788.1±70.0 °C at 760 mmHg
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Computational_Chemistry:
|
['1. XlogP :24 ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :9 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :15 ', '6. TPSA 140 ', '7. Heavy Atom Count :35 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :894 ', '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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PSA:
|
139.67000
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MF:
|
C25H15NO9
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|
More_Info:
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['1 . Appearance Solid ', '2 . Density（g/mL25 ºC）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC2mmHg）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（kPa,）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（正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:
|
0.0±2.8 mmHg at 25°C
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|
Exact_Mass:
|
473.074677
|
