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Molecular_Structure:
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['1 . Molar refractive index 2392 ', '2 . Molar volume 850 ', '3 . Parachor （902K）22120 ', '4 . Surface tension 386 ', '5 . Dielectric constant 无可用 ', '6 偶极距（10-24cm3）无可用 ', '7 . Polarizability 948']
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|
Flash_Point:
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120.9±19.8 °C
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|
Refractive_Index:
|
1.475
|
|
FW:
|
82.104
|
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Density:
|
1.0±0.1 g/cm3
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|
Bolling_Point:
|
276.3±13.0 °C at 760 mmHg
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|
Computational_Chemistry:
|
['1 . XlogP -01 ', '2 . Hydrogen Bond Donor Count 1 ', '3 . Hydrogen Bond Acceptor Count 2 ', '4 . Rotatable Bond Count 0 ', '5 . Isotope Atom Count 3 ', '6 . TPSA 498 ', '7 . Heavy Atom Count 6 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 104 ', '10 . Isotope Atom Count 0 ', '11 . Defined Atom Stereocenter Count 0 ', '12 . Undefined Atom Stereocenter Count 0 ', '13 . Defined Bond Stereocenter Count 1 ', '14 . Undefined Bond Stereocenter Count 0 ', '15 . Covalently-Bonded Unit Count 1']
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|
LogP:
|
0.00
|
|
Melting_Point:
|
79-81°C
|
|
PSA:
|
49.81000
|
|
MF:
|
C4H6N2
|
|
More_Info:
|
['1 . Appearance Yellow or 奶油色薄片 ', '2 . Density（g/mL,25/4℃）0952 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）79-81 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,4mmHg）120 ', '7 . Refractive index（n 20/D ）Unknow ', '8 . Flash point（ºC）154 ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（mmHg,20ºC）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（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±0.6 mmHg at 25°C
|
|
Exact_Mass:
|
82.053101
|
