|
Bolling_Point:
|
444.7±45.0 °C at 760 mmHg
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|
LogP:
|
-2.35
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|
More_Info:
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['1 . Appearance 晶体状粉末 ', '2 . Density（g/cm3,20℃）136 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）178-179 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,16mm）Unknow ', '7 . Refractive index（n20/D）Unknow ', '8 . Flash point（ºF）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（mmHg,25ºC）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 Soluble in Water ']
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|
Computational_Chemistry:
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['1 . XlogP -1 ', '2 . Hydrogen Bond Donor Count 2 ', '3 . Hydrogen Bond Acceptor Count 4 ', '4 . Rotatable Bond Count 0 ', '5 . Isotope Atom Count 2 ', '6 . TPSA 996 ', '7 . Heavy Atom Count 8 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 183 ', '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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|
Melting_Point:
|
178-179 °C(lit.)
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|
Vapor_Pressure:
|
0.0±1.1 mmHg at 25°C
|
|
Exact_Mass:
|
108.043594
|
|
MF:
|
C4H4N4
|
|
Density:
|
1.3±0.1 g/cm3
|
|
Refractive_Index:
|
1.579
|
|
Water_Solubility:
|
5 g/L (25 ºC)
|
|
PSA:
|
99.62000
|
|
Flash_Point:
|
222.7±28.7 °C
|
|
Molecular_Structure:
|
['1 . Molar refractive index 2722 ', '2 . Molar volume （m3/mol）819 ', '3 . Parachor （902K）2455 ', '4 . Surface tension : 807 ', '5 . Dielectric constant 无可用 ', '6 偶极距（10 -24cm 3）无可用 ', '7 . Polarizability 1079']
|
|
FW:
|
108.101
|
