|
Refractive_Index:
|
1.454
|
|
Vapor_Pressure:
|
2.1±0.3 mmHg at 25°C
|
|
Flash_Point:
|
51.7±0.0 °C
|
|
LogP:
|
1.72
|
|
Bolling_Point:
|
162.6±8.0 °C at 760 mmHg
|
|
Water_Solubility:
|
Immiscible
|
|
PSA:
|
26.30000
|
|
Molecular_Structure:
|
['1 . Molar refractive index 3467 ', '2 . Molar volume 1281 ', '3 . Parachor （902K）3053 ', '4 . Surface tension 322 ', '5 . Polarizability 1374']
|
|
Computational_Chemistry:
|
['1. XlogP :17 ', '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 :825 ', '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:
|
C5H9BrO2
|
|
Exact_Mass:
|
179.978592
|
|
FW:
|
181.028
|
|
Density:
|
1.4±0.1 g/cm3
|
|
More_Info:
|
['1 . Appearance Colourless Liquid ，遇光变黄，有很强的刺激气味。 ', '2 . Density（g/ cm3,20/4℃）14135 ', '3 . Boiling point（ºC,Atmospheric pressure）159~161（稍有分解） ', '4 . Refractive index（20ºC）14490 ', '5 . Flash point（ºF）125 ', '6 . Flash point（ºC）51 ', '7. Solubility 与 Ethanol Ethyl ether 氯仿混溶，Insoluble in Water 。 ', '8 相对. Density（25℃，4℃）1320087']
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