|
MF:
|
C6H6N2O
|
|
Bolling_Point:
|
257.7±32.0 °C at 760 mmHg
|
|
Exact_Mass:
|
122.048012
|
|
More_Info:
|
['1 . Appearance 晶状粉末。 ', '2 . Density（g/mL,25/4℃） Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）110 ', '5 . Boiling point（ºC,Atmospheric pressure）143 ', '6 . Boiling point（ºC,52kPa） Unknow ', '7 . Refractive index Unknow ', '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']
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|
Melting_Point:
|
110 °C (dec.)(lit.)
|
|
PSA:
|
55.98000
|
|
Flash_Point:
|
109.7±25.1 °C
|
|
Refractive_Index:
|
1.590
|
|
Density:
|
1.2±0.1 g/cm3
|
|
Molecular_Structure:
|
['1 . Molar refractive index 3327 ', '2 . Molar volume （m3/mol）1013 ', '3 . Parachor （902K）2758 ', '4 . Surface tension : 548 ', '5 . Dielectric constant 无可用 ', '6 偶极距（10 -24cm 3）无可用 ', '7 . Polarizability 1319']
|
|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :2 ', '6. TPSA 56 ', '7. Heavy Atom Count :9 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :114 ', '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:
|
122.125
|
|
LogP:
|
-0.24
|
|
Vapor_Pressure:
|
0.0±0.6 mmHg at 25°C
|
