Molecular_Structure:
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['1 . Molar refractive index 6457 ', '2 . Molar volume 1601 ', '3 . Parachor (902K)4937 ', '4 . Surface tension 903 ', '5 . Dielectric constant (F/m) ', '6 偶极距(D) ', '7 . Polarizability 2559']
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LogP:
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-1.71
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Flash_Point:
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326.4±34.3 °C
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Refractive_Index:
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1.740
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FW:
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287.212
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Density:
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1.8±0.1 g/cm3
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Bolling_Point:
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616.1±65.0 °C at 760 mmHg
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Melting_Point:
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276-280°C
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Computational_Chemistry:
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['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :3 ', '3. Hydrogen Bond Acceptor Count :8 ', '4. Rotatable Bond Count :5 ', '5. Isotope Atom Count :3 ', '6. TPSA 136 ', '7. Heavy Atom Count :19 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :354 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :1 ', '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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Water_Solubility:
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13.4 mg/mL (25 ºC)
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PSA:
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146.19000
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MF:
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C9H14N5O4P
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More_Info:
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['一物性数据 ', '1 . Appearance White Solid 。White 细微的结晶。 ', '2 . Density(g/mL,25/4℃)不确定 ', '3 . Relative vapor density(g/mL,Atmosphere =1)不确定 ', '4 . Melting point(ºC)279 ºC ', '5 . Boiling point(ºC,067kpaor 5 mmHg)不确定 ', '6 . Refractive index不确定 ', '7 . Flash point(ºC)不确定 ', '8 . Specific rotation(ºC)不确定 ', '9 . Spontaneous ignition point or ignition temperature(ºC)不确定 ', '10 . Vapor pressure(kPa,25ºC)不确定 ', '11 . Saturated vapor pressure(kPa,60ºC)不确定 ', '12 . Combustion heat(KJ/mol)不确定 ', '13 . Critical temperature(ºC)503 ', '14 . Critical pressure(KPa)不确定 ', '15 . Oil-water(Octanol /Water )Logarithmic Value of Distribution Coefficient 不确定 ', '16 . Upper limit of explosion(%,V/V)不确定 ', '17 . Lower limit of explosion(%,V/V)不确定 ', '18 . Solubility 不确定。']
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Vapor_Pressure:
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0.0±1.9 mmHg at 25°C
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Exact_Mass:
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287.078339
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