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Molecular_Structure:
|
['1. Molar refractive index 4684 ', '2. Molar volume 1319 ', '3. Parachor （902K）3405 ', '4. Surface tension 444 ', '5. Dielectric constant N/A ', '6. Polarizability 1857 ', '7. Single isotope mass 299844668 Da ', '8. Nominal mass 300 Da ', '9. Average mass 3008949 Da']
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Flash_Point:
|
98.0±21.8 °C
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|
Refractive_Index:
|
1.629
|
|
FW:
|
300.895
|
|
Density:
|
2.3±0.1 g/cm3
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|
Bolling_Point:
|
238.5±20.0 °C at 760 mmHg
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|
Computational_Chemistry:
|
['1. XlogP :34 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :N/A ', '6. TPSA 0 ', '7. Heavy Atom Count :9 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :991 ', '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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|
LogP:
|
3.92
|
|
Melting_Point:
|
34-38 °C(lit.)
|
|
MF:
|
C6H3BrFI
|
|
More_Info:
|
['1 . Appearance 亮棕色晶体 ', '2 . Density（g/mL,20℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）37-38 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,03KPa）80 ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC）>110 ', '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 3305 ', '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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|
Vapor_Pressure:
|
0.1±0.5 mmHg at 25°C
|
|
Exact_Mass:
|
299.844666
|
