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Molecular_Structure:
|
['1. Molar refractive index 4932 ', '2. Molar volume 1522 ', '3. Parachor （902K）3932 ', '4. Surface tension 444 ', '5. Dielectric constant N/A ', '6. Polarizability 1955 ', '7. Single isotope mass 227978585 Da ', '8. Nominal mass 228 Da ', '9. Average mass 2290706 Da']
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LogP:
|
3.43
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Flash_Point:
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123.7±19.8 °C
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Refractive_Index:
|
1.561
|
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FW:
|
229.071
|
|
Density:
|
1.5±0.1 g/cm3
|
|
Bolling_Point:
|
276.1±29.0 °C at 760 mmHg
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|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :N/A ', '6. TPSA 185 ', '7. Heavy Atom Count :12 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :152 ', '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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|
PSA:
|
18.46000
|
|
MF:
|
C9H9BrO2
|
|
More_Info:
|
['1 . Appearance Colourless Liquid 2 . Density（g/mL, 20 ℃ ）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）82 ', '6 . Boiling point（ºC 3mmHg）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºF 16mm）145-148 ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（kPa,25ºC）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:
|
0.0±0.5 mmHg at 25°C
|
|
Exact_Mass:
|
227.978592
|
