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Refractive_Index:
|
1.450
|
|
Vapor_Pressure:
|
5.8±0.3 mmHg at 25°C
|
|
Flash_Point:
|
62.4±7.2 °C
|
|
LogP:
|
0.89
|
|
Bolling_Point:
|
141.5±13.0 °C at 760 mmHg
|
|
PSA:
|
17.07000
|
|
Molecular_Structure:
|
['1 . Molar refractive index 2830 ', '2 . Molar volume 1052 ', '3 . Parachor （902K）2458 ', '4 . Surface tension 297 ', '5 . Dielectric constant ', '6 偶极距（10-24cm3） 7 . Polarizability 1121']
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|
Computational_Chemistry:
|
['1. XlogP :11 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :3 ', '6. TPSA 171 ', '7. Heavy Atom Count :6 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :606 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :1 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
|
|
MF:
|
C4H7BrO
|
|
Exact_Mass:
|
149.968018
|
|
FW:
|
151.002
|
|
Density:
|
1.4±0.1 g/cm3
|
|
More_Info:
|
['1 . Appearance Unknow ', '2 . Density（g/mL,25/4℃）1438 ', '3 相对. Density（20℃，4℃）144118 ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）87150 ', '6 . Boiling point（ºC, 146kPa）36 °C ', '7 . Refractive index1458-146 ', '8 . Flash point（ºC）>100°C ', '9常温. Refractive index（n20）1457118 ', '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']
|
