Molecular_Structure:
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['1. Molar refractive index 374 ', '2. Molar volume 1168 ', '3. Parachor (902K)3166 ', '4. Surface tension 538 ', '5. Dielectric constant N/A ', '6. Polarizability 1482 ', '7. Single isotope mass 191019413 Da ', '8. Nominal mass 191 Da ', '9. Average mass 1911074 Da']
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Flash_Point:
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147.8ºC
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FW:
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191.10700
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Density:
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1.635g/cm3
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Bolling_Point:
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320.7ºC at 760mmHg
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Computational_Chemistry:
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['1. XlogP :11 ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :6 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA 633 ', '7. Heavy Atom Count :13 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :214 ', '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:
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1.96550
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Melting_Point:
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175-180 °C(lit.)
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PSA:
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63.32000
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MF:
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C7H4F3NO2
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More_Info:
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['1 . Appearance 粉末 ', '2 . Density(g/mL,20℃)Unknow ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)175-180 ', '5 . Boiling point(ºC,Atmospheric pressure)Unknow ', '6 . Boiling point(ºC,KPa)Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point(ºC)Unknow ', '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 Unknow']
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Vapor_Pressure:
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0.000129mmHg at 25°C
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Exact_Mass:
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191.01900
|