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Molecular_Structure:
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['1. Molar refractive index 4869 ', '2. Molar volume 2435 ', '3. Parachor （902K）5152 ', '4. Surface tension 20 ', '5. Dielectric constant N/A ', '6. Polarizability 193 ', '7. Single isotope mass 394023846 Da ', '8. Nominal mass 394 Da ', '9. Average mass 3941299 Da']
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Flash_Point:
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>150°C
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|
Refractive_Index:
|
1.322
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|
FW:
|
394.13000
|
|
Density:
|
1.617g/cm3
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|
Bolling_Point:
|
120-130°C
|
|
Computational_Chemistry:
|
['1. XlogP :37 ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :15 ', '4. Rotatable Bond Count :7 ', '5. Isotope Atom Count :N/A ', '6. TPSA 405 ', '7. Heavy Atom Count :24 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :441 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :1 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
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|
LogP:
|
3.46850
|
|
Melting_Point:
|
63-64°C
|
|
PSA:
|
40.46000
|
|
MF:
|
C9H7F13O2
|
|
More_Info:
|
['1 . Appearance White or 灰色Solid ', '2 . Density（g/mL,25℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）63-64 ', '5 . Boiling point（ºC,Atmospheric pressure）120-130 ', '6 . Boiling point（ºC，14mmHg）Unknow ', '7 . Refractive index(n20/D)Unknow ', '8 . Flash point（ºC）＞150 ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（mmHg,20ºC）Unknow ', '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 Unknow ', '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:
|
0.0432mmHg at 25°C
|
|
Exact_Mass:
|
394.02400
|
