|
Molecular_Structure:
|
['1. Molar refractive index N/A ', '2. Molar volume N/A ', '3. Parachor （902K）N/A ', '4. Surface tension N/A ', '5. Dielectric constant N/A ', '6. Polarizability N/A ', '7. Single isotope mass 471911496 Da ', '8. Nominal mass 472 Da ', '9. Average mass 4727947 Da']
|
|
LogP:
|
4.08980
|
|
Flash_Point:
|
22.8ºC
|
|
FW:
|
472.795
|
|
Bolling_Point:
|
114.1ºC at 760mmHg
|
|
Computational_Chemistry:
|
['1. XlogP ', '2. Hydrogen Bond Donor Count 0 ', '3. Hydrogen Bond Acceptor Count 16 ', '4. Rotatable Bond Count 2 ', '5. Isotope Atom Count ', '6. TPSA ；803 ', '7. Heavy Atom Count 27 ', '8. Topological Polar Surface Area 0 ', '9. Complexity 210 ', '10. Isotope Atom Count 0 ', '11. Defined Atom Stereocenter Count 0 ', '12. Undefined Atom Stereocenter Count 0 ', '13. Defined Bond Stereocenter Count 2 ', '14. Undefined Bond Stereocenter Count 0 ', '15. Covalently-Bonded Unit Count 3']
|
|
Melting_Point:
|
211-213ºC
|
|
PSA:
|
52.60000
|
|
MF:
|
C10H2F12NiO4
|
|
More_Info:
|
['1. Appearance 绿色晶体。 ', '2. Density（g/mL,25/4℃）Unknow ', '3. Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4. Melting point（ºC）213 ', '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']
|
|
Vapor_Pressure:
|
10.3mmHg at 25°C
|
|
Exact_Mass:
|
471.911499
|
