|
Bolling_Point:
|
437.3±25.0 °C at 760 mmHg
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|
LogP:
|
2.80
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|
More_Info:
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['1 . Appearance White 针状结晶 ', '2 . Density（g/mL,15℃）15 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）>300 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Refractive indexUnknow ', '7 . Flash point（ºC）Unknow ', '8 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '9 . Specific rotation（º） Unknow ', '10 . Vapor pressure（kPa,25ºC）Unknow ', '11 . Saturated vapor pressure（kPa,60ºC）Unknow ', '12 . Combustion heat（KJ/mol）Unknow ', '13 . Critical temperature（ºC）Unknow ', '14 . Critical pressure（KPa）Unknow ', '15 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient Unknow ', '16 . Upper limit of explosion（%,V/V）Unknow ', '17 . Lower limit of explosion（%,V/V）Unknow ', '18 . Solubility Insoluble in 沸苯甲苯and 乙酸']
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|
Computational_Chemistry:
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['1 . XlogP 28 ', '2 . Hydrogen Bond Donor Count 2 ', '3 . Hydrogen Bond Acceptor Count 4 ', '4 . Rotatable Bond Count 2 ', '5 . Isotope Atom Count 未确定 ', '6 . TPSA 746 ', '7 . Heavy Atom Count 16 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 269 ', '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:
|
>300 °C(lit.)
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|
Vapor_Pressure:
|
0.0±1.1 mmHg at 25°C
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|
Exact_Mass:
|
216.042252
|
|
MF:
|
C12H8O4
|
|
Density:
|
1.5±0.1 g/cm3
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|
Refractive_Index:
|
1.708
|
|
PSA:
|
74.60000
|
|
Flash_Point:
|
232.4±19.7 °C
|
|
Molecular_Structure:
|
['1. Molar refractive index 5795 ', '2. Molar volume 1486 ', '3. Parachor （902K）4353 ', '4. Surface tension 736 ', '5. Dielectric constant N/A ', '6. Polarizability 2297 ', '7. Single isotope mass 216042259 Da ', '8. Nominal mass 216 Da ', '9. Average mass 2161895 Da']
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|
FW:
|
216.189
|
