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Molecular_Structure:
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['1 . Molar refractive index 3477 ', '2 . Molar volume （m3/mol）1213 ', '3 . Parachor （902K）2951 ', '4 . Surface tension 350 ', '5 . Dielectric constant 无可用 ', '6 偶极距（10 -24cm 3）无可用 ', '7 . Polarizability 1378']
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Flash_Point:
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67.4±22.6 °C
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Refractive_Index:
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1.485
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FW:
|
179.012
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Density:
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1.5±0.1 g/cm3
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Bolling_Point:
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198.5±0.0 °C at 760 mmHg
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Computational_Chemistry:
|
['1. XlogP :11 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :N/A ', '6. TPSA 263 ', '7. Heavy Atom Count :8 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :986 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :1 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
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LogP:
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1.63
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|
PSA:
|
26.30000
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|
MF:
|
C5H7BrO2
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|
More_Info:
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['1 . Appearance Colourless Liquid 。 ', '2 . Density（g/mL,25℃）1522 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,13mmHg）83-85 ', '7 . Refractive index（n 20/D ）1501 8 . Flash point（ ºC ） 917 9 . Specific rotation（ º ） Unknow 10 . Spontaneous ignition point or ignition temperature（ ºC ）92 11 . Vapor pressure（ mmHg,20ºC ） 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 Unknow']
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Vapor_Pressure:
|
0.4±0.3 mmHg at 25°C
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Exact_Mass:
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177.962936
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