Refractive_Index:
|
1.589
|
Vapor_Pressure:
|
0.0±1.6 mmHg at 25°C
|
Flash_Point:
|
153.8±27.9 °C
|
LogP:
|
2.47
|
Bolling_Point:
|
330.7±42.0 °C at 760 mmHg
|
Water_Solubility:
|
Insoluble (
|
PSA:
|
20.23000
|
Molecular_Structure:
|
['1 . Molar refractive index 4990 ', '2 . Molar volume (m3/mol)1481 ', '3 . Parachor (902K)3993 ', '4 . Surface tension : 527 ', '5 . Dielectric constant 无可用 ', '6 偶极距(10 -24cm 3)无可用 ', '7 . Polarizability 1978']
|
Computational_Chemistry:
|
['1. XlogP :19 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :4 ', '5. Isotope Atom Count :N/A ', '6. TPSA 202 ', '7. Heavy Atom Count :9 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :643 ', '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:
|
64-66°C
|
MF:
|
C5H9Br3O
|
Exact_Mass:
|
321.820343
|
FW:
|
324.836
|
Density:
|
2.2±0.1 g/cm3
|
More_Info:
|
['1 . Appearance White Solid 。 ', '2 . Density(g/mL,25/4℃) Unknow ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)64-66 ', '5 . Boiling point(ºC,Atmospheric pressure)131 ', '6 . Boiling point(ºC,52kPa) Unknow ', '7 . Refractive index Unknow ', '8 . Flash point(ºC) Unknow ', '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 Insoluble in Water 。']
|