|
Refractive_Index:
|
1.490
|
|
Vapor_Pressure:
|
0.0±1.0 mmHg at 25°C
|
|
Flash_Point:
|
94.2±19.8 °C
|
|
LogP:
|
1.92
|
|
Bolling_Point:
|
232.2±13.0 °C at 760 mmHg
|
|
FW:
|
181.028
|
|
PSA:
|
37.30000
|
|
Computational_Chemistry:
|
['四计算化学数据 ', '1 . XlogP 19 ', '2 . Hydrogen Bond Donor Count 1 ', '3 . Hydrogen Bond Acceptor Count 2 ', '4 . Rotatable Bond Count 3 ', '5 . TPSA 373 ', '6 . Heavy Atom Count 8 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 825 ', '9 . Isotope Atom Count 0 ', '10 . Defined Atom Stereocenter Count 1 ', '11 . Undefined Atom Stereocenter Count 0 ', '12 . Defined Bond Stereocenter Count 0 ', '13 . Undefined Bond Stereocenter Count 0 ', '14 . Covalently-Bonded Unit Count 1']
|
|
MF:
|
C5H9BrO2
|
|
Exact_Mass:
|
179.978592
|
|
Molecular_Structure:
|
['分子性质数据 ', '1 . Molar refractive index 3446 ', '2 . Molar volume （m3/mol）1192 ', '3 . Parachor （902K）3023 ', '4 . Surface tension 413 ', '5 . Polarizability 1366']
|
|
Density:
|
1.5±0.1 g/cm3
|
|
More_Info:
|
['一物性数据 ', '1本品为油状Liquid ， ', '2bp132～136℃/334kpa， ', '3n20D 14709， ', '4相对. Density 1381， ', '5fp>230℉(110℃)， ', '6Insoluble in Water ，溶1 ', '于乙酸苯醚等有机溶剂。']
|
