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Refractive_Index:
|
1.601
|
|
Vapor_Pressure:
|
0.0±0.9 mmHg at 25°C
|
|
Flash_Point:
|
194.0±20.4 °C
|
|
LogP:
|
-0.55
|
|
Bolling_Point:
|
397.2±15.0 °C at 760 mmHg
|
|
PSA:
|
71.28000
|
|
Molecular_Structure:
|
['1 . Molar refractive index 3792 ', '2 . Molar volume （m3/mol）1130 ', '3 . Parachor （902K）3089 ', '4 . Surface tension 556 ', '5 . Dielectric constant 不可用 ', '6 偶极距（10 -24cm 3）无可用 ', '7 . Polarizability 1503']
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|
Computational_Chemistry:
|
['1. XlogP :01 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :N/A ', '6. TPSA 713 ', '7. Heavy Atom Count :11 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :156 ', '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']
|
|
Melting_Point:
|
135-139 °C
|
|
MF:
|
C6H6N2O3
|
|
Exact_Mass:
|
140.022186
|
|
FW:
|
140.097
|
|
Density:
|
1.4±0.1 g/cm3
|
|
More_Info:
|
['1 . Appearance Unknow。 ', '2 . Density（g/cm3,25/4℃）136 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）135-139 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,760mmHg）383 ', '7 . Refractive index(n 20/D) 1585 ', '8 . Flash point（ºC）1854 ', '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 Soluble in 氯仿and 热的丙酮']
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