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Molecular_Structure:
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['五分子性质数据 ', '1 . Molar refractive index 3690 ', '2 . Molar volume （m3/mol）1105 ', '3 . Parachor （902K）2996 ', '4 . Surface tension 540 ', '5 . Dielectric constant N/A ', '6 偶极距（10 -24cm 3）N/A ', '7 . Polarizability 1463']
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|
LogP:
|
0.31
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Flash_Point:
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168.5±28.4 °C
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Refractive_Index:
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1.582
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FW:
|
136.944
|
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Density:
|
1.2±0.1 g/cm3
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|
Bolling_Point:
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355.0±44.0 °C at 760 mmHg
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Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :3 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA 665 ', '7. Heavy Atom Count :10 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :102 ', '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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|
Melting_Point:
|
62-66
|
|
PSA:
|
66.48000
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|
MF:
|
C6H8BNO2
|
|
More_Info:
|
['1 . Appearance Unknow ', '2 . Density（g/mL,20℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）62-66 ', '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']
|
|
Vapor_Pressure:
|
0.0±0.8 mmHg at 25°C
|
|
Exact_Mass:
|
137.064804
|
