|
Refractive_Index:
|
1.693
|
|
Vapor_Pressure:
|
0.0±0.7 mmHg at 25°C
|
|
Flash_Point:
|
155.7±30.7 °C
|
|
LogP:
|
2.85
|
|
Bolling_Point:
|
333.8±52.0 °C at 760 mmHg
|
|
Water_Solubility:
|
practically insoluble
|
|
PSA:
|
62.68000
|
|
Molecular_Structure:
|
['五分子性质数据 ', '1 . Molar refractive index 6523 ', '2 . Molar volume 1700 ', '3 . Parachor （902K）4946 ', '4 表面张力（30 dyne/cm）716 ', '5 . Polarizability （05 10-24cm3）2585']
|
|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA 627 ', '7. Heavy Atom Count :16 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :307 ', '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:
|
177-180°C
|
|
MF:
|
C9H4Cl3NO2S
|
|
Exact_Mass:
|
294.902832
|
|
FW:
|
296.558
|
|
Density:
|
1.7±0.1 g/cm3
|
|
More_Info:
|
['1 . Appearance White 结晶。 ', '2 . Density（g/mL,20℃）不确定 ', '3 . Relative vapor density（g/mL,Atmosphere =1）不确定 ', '4 . Melting point（ºC）177 ', '5 . Boiling point（ºC）不确定 ', '6 . Refractive index不确定 ', '7 . Flash point（ºC）不确定 ', '8 . Specific rotation（ºC）不确定 ', '9 . Spontaneous ignition point or ignition temperature（ºC）不确定 ', '10 . Vapor pressure（kPa,25ºC）133×10-2 ', '11 . Saturated vapor pressure（kPa,60ºC）不确定 ', '12 . Combustion heat（KJ/mol）不确定 ', '13 . Critical temperature（ºC）不确定 ', '14 . Critical pressure（KPa）不确定 ', '15 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient 不确定 ', '16 . Upper limit of explosion（%,V/V）不确定 ', '17 . Lower limit of explosion（%,V/V）不确定 ', '18 . Solubility 微Soluble in 有机溶剂；Insoluble in Water （仅1mg/L）。']
|
