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Molecular_Structure:
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['1 . Molar refractive index 2911 ', '2 . Molar volume 928 ', '3 . Parachor （902K）2485 ', '4 . Surface tension 514 ', '5 . Dielectric constant ', '6 偶极距（10-24cm3） ', '7 . Polarizability 1154']
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Flash_Point:
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89.4±0.0 °C
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Refractive_Index:
|
1.540
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FW:
|
104.109
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Density:
|
1.1±0.1 g/cm3
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Bolling_Point:
|
225.5±13.0 °C at 760 mmHg
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Melting_Point:
|
24-27 °C(lit.)
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Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :N/A ', '6. TPSA 367 ', '7. Heavy Atom Count :8 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :111 ', '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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LogP:
|
0.51
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|
Water_Solubility:
|
immiscible
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|
PSA:
|
36.68000
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|
MF:
|
C6H4N2
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|
More_Info:
|
['1 . Appearance 低温下为White to 淡Yellow 晶体 ', '2 . Density（g/mL,20℃）1081 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）26-28 ', '5 . Boiling point（ºC,Atmospheric pressure）212-215 ', '6 . Boiling point（ºC, KPa）Unknow ', '7 . Refractive index（nD20）15288 ', '8 . Flash point（ºC）89 ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）: 193 ', '11 . Vapor pressure（mmHg, ºC）Unknow ', '12 . Saturated vapor pressure（kPa, ºC）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 Insoluble in Water ']
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|
Vapor_Pressure:
|
0.1±0.4 mmHg at 25°C
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|
Exact_Mass:
|
104.037445
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