|
MF:
|
C13H10N2O2
|
|
Bolling_Point:
|
476.8±45.0 °C at 760 mmHg
|
|
Exact_Mass:
|
226.074234
|
|
More_Info:
|
['1 . Appearance 深棕色Liquid ', '2 . Density（g/mLat 25°C）1042 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,20mmHg）68 ', '7 . Refractive index（n20/D）1435 ', '8 . Flash point（ºC）51 ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（mmHg,30ºC）Unknow ', '12 . Saturated vapor pressure（kPa,1144 ºC）Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（MPa）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']
|
|
Refractive_Index:
|
1.683
|
|
PSA:
|
17.07000
|
|
Flash_Point:
|
242.2±28.7 °C
|
|
Density:
|
1.4±0.1 g/cm3
|
|
Molecular_Structure:
|
['1 . Molar refractive index 3009 ', '2 . Molar volume 1195 ', '3 . Parachor （902K）2745 ', '4 . Surface tension 278 ', '5 . Polarizability 1192 ', '6 . Dielectric constant 未确定']
|
|
Computational_Chemistry:
|
['1. XlogP :09 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :3 ', '6. TPSA 171 ', '7. Heavy Atom Count :7 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :611 ', '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:
|
226.231
|
|
LogP:
|
2.64
|
|
Vapor_Pressure:
|
0.0±1.2 mmHg at 25°C
|
