|
MF:
|
C9H4N4O4
|
|
Bolling_Point:
|
659.3ºC at 760 mmHg
|
|
Exact_Mass:
|
232.023254
|
|
More_Info:
|
['1 . Appearance 灰White or Yellow Solid ', '2 . Density（g/mL,25℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）300 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC，2mmHg）Unknow ', '7 . Refractive index(n20/D)Unknow ', '8 . Flash point（ºC）Unknow ', '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,25ºC）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 ']
|
|
Melting_Point:
|
300 °C
|
|
PSA:
|
135.33000
|
|
Flash_Point:
|
352.6ºC
|
|
Refractive_Index:
|
1.699
|
|
Density:
|
1.7±0.1 g/cm3
|
|
Molecular_Structure:
|
['1. Molar refractive index 5209 ', '2. Molar volume 1349 ', '3. Parachor （902K）424 ', '4. Surface tension 973 ', '5. Dielectric constant N/A ', '6. Polarizability 2065 ', '7. Single isotope mass 232023255 Da ', '8. Nominal mass 232 Da ', '9. Average mass 2321525 Da']
|
|
Computational_Chemistry:
|
['1 . XlogP 0 ', '2 . Hydrogen Bond Donor Count 2 ', '3 . Hydrogen Bond Acceptor Count 5 ', '4 . Rotatable Bond Count 0 ', '5 . Isotope Atom Count 4 ', '6 . TPSA 125 ', '7 . Heavy Atom Count 17 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 434 ', '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']
|
|
FW:
|
232.152
|
|
LogP:
|
0.64
|
|
Vapor_Pressure:
|
0.001mmHg at 25°C
|
