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Refractive_Index:
|
n20/D 1.449(lit.)
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Vapor_Pressure:
|
0.175mmHg at 25°C
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Flash_Point:
|
>230 °F
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LogP:
|
2.65128
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Bolling_Point:
|
222-223 °C(lit.)
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PSA:
|
33.02000
|
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Molecular_Structure:
|
['1. Molar refractive index 4285 ', '2. Molar volume 156 ', '3. Parachor （902K）3724 ', '4. Surface tension 324 ', '5. Dielectric constant N/A ', '6. Polarizability 1698 ', '7. Single isotope mass 201040148 Da ', '8. Nominal mass 201 Da ', '9. Average mass 2011452 Da']
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Computational_Chemistry:
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['1. XlogP :28 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :5 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :N/A ', '6. TPSA 33 ', '7. Heavy Atom Count :14 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :230 ', '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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MF:
|
C9H6F3NO
|
|
Exact_Mass:
|
201.04000
|
|
FW:
|
201.14500
|
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Density:
|
1.28 g/mL at 25 °C(lit.)
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More_Info:
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['1 . Appearance Colourless 的Liquid ', '2 . Density（g/mL,20℃）128 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）222-223 ', '6 . Boiling point（ºC,KPa）Unknow ', '7 . Refractive indexn20/D 1449 ', '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 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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