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Molecular_Structure:
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['1. Molar refractive index 12187 ', '2. Molar volume 3932 ', '3. Parachor （902K）1011 ', '4. Surface tension 436 ', '5. Dielectric constant N/A ', '6. Polarizability 4831 ', '7. Single isotope mass 541132392 Da ', '8. Nominal mass 541 Da ', '9. Average mass 6414391 Da']
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LogP:
|
5.99
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Flash_Point:
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273.2±30.1 °C
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Refractive_Index:
|
1.532
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FW:
|
541.439
|
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Density:
|
1.4±0.1 g/cm3
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|
Bolling_Point:
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528.2±50.0 °C at 760 mmHg
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Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :12 ', '4. Rotatable Bond Count :10 ', '5. Isotope Atom Count :N/A ', '6. TPSA 856 ', '7. Heavy Atom Count :38 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :917 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :3 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :1 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
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PSA:
|
85.62000
|
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MF:
|
C26H21F6NO5
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|
More_Info:
|
['1 . Appearance White 结晶，无味。 ', '2 . Density（g/mL,20℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）815 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC，1mmHg）Unknow ', '7 . Refractive index(n20/D)Unknow ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º）235 ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（mmHg,20ºC）390×10-9 ', '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 524 ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility Unknow']
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|
Vapor_Pressure:
|
0.0±1.4 mmHg at 25°C
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|
Exact_Mass:
|
541.132385
|
