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Molecular_Structure:
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['五分子性质数据 ', '1 . Molar refractive index 5066 ', '2 . Molar volume （m3/mol）1545 ', '3 . Parachor （902K）4028 ', '4 . Surface tension 461 ', '5 . Dielectric constant N/A ', '6 偶极距（10 -24cm 3）N/A ', '7 . Polarizability 2008']
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Flash_Point:
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148.3ºC
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|
Refractive_Index:
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1.569
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|
FW:
|
192.17100
|
|
Density:
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1.24g/cm3
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|
Bolling_Point:
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321.6ºC at 760 mmHg
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Computational_Chemistry:
|
['1. XlogP :33 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA 752 ', '7. Heavy Atom Count :14 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :268 ', '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:
|
2.70210
|
|
Melting_Point:
|
85-89ºC(lit.)
|
|
PSA:
|
75.25000
|
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MF:
|
C9H8N2O3
|
|
More_Info:
|
['1 . Appearance Unknow ', '2 . Density（g/mL,25ºC）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）85-89 ', '5 . Boiling point（ºC）Unknow ', '6 . Boiling point（ºC，05mmHg）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（°C）Unknow ', '9 . Specific rotation（ºF）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（kPa,20ºC）Unknow ', '12 . Saturated vapor pressure（kPa,110ºC）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:
|
0.000294mmHg at 25°C
|
|
Exact_Mass:
|
192.05300
|
