|
Refractive_Index:
|
1.639
|
|
Vapor_Pressure:
|
0.0±1.0 mmHg at 25°C
|
|
Flash_Point:
|
176.1±16.3 °C
|
|
LogP:
|
2.15
|
|
Bolling_Point:
|
396.3±42.0 °C at 760 mmHg
|
|
FW:
|
226.143
|
|
PSA:
|
128.94000
|
|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :6 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :3 ', '6. TPSA 129 ', '7. Heavy Atom Count :16 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :296 ', '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:
|
155-158 °C(lit.)
|
|
MF:
|
C8H6N2O6
|
|
Exact_Mass:
|
226.022583
|
|
Molecular_Structure:
|
['1 . Molar refractive index 5109 ', '2 . Molar volume （m3/mol）1419 ', '3 . Parachor （902K）4180 ', '4 . Surface tension 752 ', '5 . Polarizability 2025 ', '基础性质 ', '性状浅黄色粉末pH值不适用。 蒸气压不详。 粘度不详。 沸点不详。 冻结/熔点 155 - 158摄氏度自燃温度不适用。 闪点不适用。']
|
|
Density:
|
1.6±0.1 g/cm3
|
|
More_Info:
|
['1. Appearance Unknow ', '2. Density（g/mL,25/4℃）Unknow ', '3. Relative vapor density（g/mL,Atmosphere =1）Unknow 4 . Melting point（ºC） 155-158°C(lit) 5 . Boiling point（ºC,Atmospheric pressure） Unknow ', '6. Boiling point（ºC,52kPa）Unknow ', '7. Refractive indexUnknow ', '8. Flash point（ºC）Unknow ', '9. Specific rotation（º）Unknow ', '10. Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11. Vapor pressure（kPa,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 Unknow']
|
