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Molecular_Structure:
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['1 . Molar refractive index 3391 ', '2 . Molar volume 1266 ', '3 . Parachor （902K）2933 ', '4 . Surface tension 287 ', '5 . Polarizability 1344']
|
|
LogP:
|
2.91
|
|
Flash_Point:
|
87.8±0.0 °C
|
|
Refractive_Index:
|
1.448
|
|
FW:
|
246.960
|
|
Density:
|
2.0±0.1 g/cm3
|
|
Bolling_Point:
|
136.4±35.0 °C at 760 mmHg
|
|
Computational_Chemistry:
|
['1. XlogP :31 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :5 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :N/A ', '6. TPSA 0 ', '7. Heavy Atom Count :12 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :150 ', '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:
|
−31 °C(lit.)
|
|
MF:
|
C6BrF5
|
|
More_Info:
|
['一物性数据 ', '. Appearance Colourless to 微Yellow Liquid ', '. Density（g/mL,25/4℃）1981 ', '相对. Density（20℃，4℃）19503 ', '. Melting point（ºC）-299 ', '. Boiling point（ºC,Atmospheric pressure）135 ', '常温. Refractive index（n20）14505 ', '. Refractive index14490 ', '. Flash point（ºC）87 ', '液相标准声称热(焓)( kJ·mol-1)-7551 ', '液相标准熵(J·mol-1·K-1) 31192 ', '液相标准生成自由能( kJ·mol-1)-6641 ', '气相标准声称热(焓)( kJ·mol-1) -7120 ', '气相标准熵(J·mol-1·K-1) 41911 ', '气相标准生成自由能( kJ·mol-1)-6530 ', '气相标准热熔(J·mol-1·K-1)1603 ', '. Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient 不可用 ', '. Upper limit of explosion（%,V/V）不可用 ', '. Lower limit of explosion（%,V/V）不可用 ', '. Solubility 不可用']
|
|
Vapor_Pressure:
|
9.2±0.2 mmHg at 25°C
|
|
Exact_Mass:
|
245.910339
|
