Bolling_Point:
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257.0±9.0 °C at 760 mmHg
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LogP:
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-0.16
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More_Info:
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['1 . Appearance Colourless 棱形结晶 ', '2 . Melting point(℃)90~91 ', '3 . Boiling point(℃)257 ', '4 . Boiling point(℃,27kpa)165~168 ', '5 . Boiling point(℃,16kpa)1382 ', '6 相对. Density(101℃)10303 ', '7 . Refractive index(101℃)14801 ', '8 . Flash point(℃)145 ', '9 . Solubility 易Soluble in Water Ethanol Ethyl ether 氯仿吡啶;微Soluble in 苯,极微Soluble in 石油醚。']
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Computational_Chemistry:
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['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :N/A ', '6. TPSA 287 ', '7. Heavy Atom Count :5 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :281 ', '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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Melting_Point:
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88-91 °C(lit.)
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Vapor_Pressure:
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0.0±0.5 mmHg at 25°C
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Exact_Mass:
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68.037445
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MF:
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C3H4N2
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Density:
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1.1±0.1 g/cm3
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Refractive_Index:
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1.528
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Water_Solubility:
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633 g/L (20 ºC)
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PSA:
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28.68000
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Flash_Point:
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145.0±0.0 °C
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Molecular_Structure:
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['1 . Molar refractive index 1877 ', '2 . Molar volume 609 ', '3 . Parachor (902K)1610 ', '4 . Surface tension 486 ', '5 . Dielectric constant (F/m)无可用 ', '6 偶极距(D)无可用 ', '7 . Polarizability 744']
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FW:
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68.077
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