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Molecular_Structure:
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['五分子性质数据 ', '1 . Molar refractive index 3984 ', '2 . Molar volume （m3/mol）1343 ', '3 . Parachor （902K）3403 ', '4 . Surface tension 411 ', '5 . Polarizability （10 -24cm 3）1579']
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Flash_Point:
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121.2±25.9 °C
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Refractive_Index:
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1.505
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FW:
|
188.128
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Density:
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1.4±0.1 g/cm3
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Bolling_Point:
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276.9±35.0 °C at 760 mmHg
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Computational_Chemistry:
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['1. XlogP :16 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :5 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :N/A ', '6. TPSA 465 ', '7. Heavy Atom Count :13 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :198 ', '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:
|
1.85
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|
Melting_Point:
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137-139°C
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|
PSA:
|
46.53000
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MF:
|
C8H6F2O3
|
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More_Info:
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['1 . Appearance White to 奶油色针状晶体 ', '2 . Density（g/mL20 ºC）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）137-139 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（º186mmHg）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（º F）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（kPa,）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（正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 不能溶解于Water ']
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|
Vapor_Pressure:
|
0.0±0.6 mmHg at 25°C
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|
Exact_Mass:
|
188.028503
|
