|
FW:
|
223.107
|
|
MF:
|
C8H15BrO2
|
|
Refractive_Index:
|
1.459
|
|
Vapor_Pressure:
|
0.2±0.4 mmHg at 25°C
|
|
Bolling_Point:
|
207.5±0.0 °C at 760 mmHg
|
|
Exact_Mass:
|
222.025528
|
|
PSA:
|
26.30000
|
|
Computational_Chemistry:
|
['1. XlogP :31 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :6 ', '5. Isotope Atom Count :N/A ', '6. TPSA 263 ', '7. Heavy Atom Count :11 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :115 ', '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']
|
|
Molecular_Structure:
|
['五分子性质数据 ', '1 . Molar refractive index 4857 ', '2 . Molar volume （m3/mol）1776 ', '3 . Parachor （902K）4246 ', '4 . Surface tension 326 ', '5 . Polarizability （10 -24cm 3）1925']
|
|
LogP:
|
3.31
|
|
Melting_Point:
|
29ºC
|
|
Flash_Point:
|
95.6±0.0 °C
|
|
Density:
|
1.3±0.1 g/cm3
|
|
More_Info:
|
['物性数据 1 . Appearance Colourless 透明Liquid ', '2 . Density（g/mL ,25/4℃）1221 ', '3 . Refractive index（nD20）145 ', '4 . Flash point（℃）204°F ', '5 . Boiling point（ºC,101kpa）213-215°C ', '6 . Solubility 微Soluble in Water ，Soluble in 醇醚']
|
