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Refractive_Index:
|
1.481
|
|
Vapor_Pressure:
|
1.5±0.3 mmHg at 25°C
|
|
Flash_Point:
|
56.7±25.9 °C
|
|
LogP:
|
2.13
|
|
Bolling_Point:
|
170.2±35.0 °C at 760 mmHg
|
|
PSA:
|
35.25000
|
|
Molecular_Structure:
|
['1 . Molar refractive index 3762 ', '2 . Molar volume （m3/mol）1321 ', '3 . Parachor （902K）3132 ', '4 . Surface tension : 316 ', '5 . Dielectric constant 无可用 ', '6 偶极距（10 -24cm 3）无可用 ', '7 . Polarizability 1491']
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|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :5 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA 352 ', '7. Heavy Atom Count :12 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :148 ', '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']
|
|
MF:
|
C7H6F3NO
|
|
Exact_Mass:
|
177.040146
|
|
FW:
|
177.124
|
|
Density:
|
1.3±0.1 g/cm3
|
|
More_Info:
|
['1 . Appearance Colourless 透明Liquid 。 ', '2 . Density（g/mL,25/4℃） 1301 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）61-63 ', '6 . Boiling point（ºC,52kPa） Unknow ', '7 . Refractive index 14614-14634 ', '8 . Flash point（ºC） 54 ', '9 . Specific rotation（º） Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC） Unknow ', '11 . Vapor pressure（kPa,25ºC） Unknow ', '12 . Saturated vapor pressure（kPa,60ºC） 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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