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Bolling_Point:
|
257.0±9.0 °C at 760 mmHg
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|
LogP:
|
-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:
|
['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:
|
88-91 °C(lit.)
|
|
Vapor_Pressure:
|
0.0±0.5 mmHg at 25°C
|
|
Exact_Mass:
|
68.037445
|
|
MF:
|
C3H4N2
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|
Density:
|
1.1±0.1 g/cm3
|
|
Refractive_Index:
|
1.528
|
|
Water_Solubility:
|
633 g/L (20 ºC)
|
|
PSA:
|
28.68000
|
|
Flash_Point:
|
145.0±0.0 °C
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|
Molecular_Structure:
|
['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:
|
68.077
|
