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Molecular_Structure:
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['五分子性质数据 ', '1 . Molar refractive index 5739 ', '2 . Molar volume （m3/mol）1657 ', '3 . Parachor （902K）4452 ', '4 . Surface tension 520 ', '5 . Polarizability （10 -24cm 3）2275']
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Flash_Point:
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213.9±24.6 °C
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|
Refractive_Index:
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1.609
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|
FW:
|
201.221
|
|
Density:
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1.2±0.1 g/cm3
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Bolling_Point:
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430.1±30.0 °C at 760 mmHg
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Computational_Chemistry:
|
['1. XlogP :23 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :2 ', '6. TPSA 424 ', '7. Heavy Atom Count :15 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :181 ', '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:
|
2.81
|
|
Melting_Point:
|
70-72ºC
|
|
PSA:
|
42.35000
|
|
MF:
|
C12H11NO2
|
|
More_Info:
|
['1 . Appearance White 晶体粉末 ', '2 . Density（g/mL20 ºC）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）70-72 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC035mmHg）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±1.1 mmHg at 25°C
|
|
Exact_Mass:
|
201.078979
|
