|
Molecular_Structure:
|
['1 . Molar refractive index 4551 ', '2 . Molar volume （m3/mol）1415 ', '3 . Parachor （902K）3503 ', '4 表面张力（30 dyne/cm）374 ', '5 . Polarizability （05 10 -24cm 3）1804']
|
|
LogP:
|
3.51
|
|
Flash_Point:
|
94.1±21.8 °C
|
|
Refractive_Index:
|
1.556
|
|
FW:
|
221.479
|
|
Density:
|
1.6±0.1 g/cm3
|
|
Bolling_Point:
|
231.9±20.0 °C at 760 mmHg
|
|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA 92 ', '7. Heavy Atom Count :10 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :110 ', '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']
|
|
Melting_Point:
|
27-28ºC
|
|
PSA:
|
9.23000
|
|
MF:
|
C7H6BrClO
|
|
More_Info:
|
['1. Appearance Unknow ', '2. Density（g/mL,25/4℃）1631g/mLat 25°C(lit)3. Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4. Melting point（ºC）Unknow ', '5. Boiling point（ºC,Atmospheric pressure）240-245°C748mm Hg(lit)6. Boiling point（ºC,52kPa）Unknow 7 . Refractive index n 20/D 1587(lit)', ' 8 . Flash point（ºC） 26 °C 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']
|
|
Vapor_Pressure:
|
0.1±0.4 mmHg at 25°C
|
|
Exact_Mass:
|
219.929047
|
