|
Bolling_Point:
|
578.8±50.0 °C at 760 mmHg
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|
LogP:
|
7.55
|
|
More_Info:
|
['1 . Appearance White to 亮Yellow 粉末 ', '2 . Density（g/mL,20℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）80-85 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,KPa）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（Pa,20ºC）Unknow ', '12 . Saturated vapor pressure（KPa,20ºC）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 Insoluble in Water ']
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|
Computational_Chemistry:
|
['1 . XlogP 76 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 12 ', '4 . Rotatable Bond Count 5 ', '5 . Isotope Atom Count ', '6 . TPSA 867 ', '7 . Heavy Atom Count 36 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 905 ', '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']
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|
Melting_Point:
|
83-85 °C(lit.)
|
|
Vapor_Pressure:
|
0.0±1.5 mmHg at 25°C
|
|
Exact_Mass:
|
549.997925
|
|
MF:
|
C22H12F6O6S2
|
|
Density:
|
1.6±0.1 g/cm3
|
|
Refractive_Index:
|
1.596
|
|
Water_Solubility:
|
Insoluble
|
|
PSA:
|
103.50000
|
|
Flash_Point:
|
303.9±30.1 °C
|
|
Molecular_Structure:
|
['1. Molar refractive index 11767 ', '2. Molar volume 3458 ', '3. Parachor （902K）9152 ', '4. Surface tension 49 ', '5. Dielectric constant N/A ', '6. Polarizability 4665 ', '7. Single isotope mass 549997947 Da ', '8. Nominal mass 550 Da ', '9. Average mass 5504475 Da']
|
|
FW:
|
550.448
|
