|
Refractive_Index:
|
1.652
|
|
Vapor_Pressure:
|
0.0±0.5 mmHg at 25°C
|
|
Flash_Point:
|
141.2±5.4 °C
|
|
LogP:
|
2.71
|
|
Bolling_Point:
|
267.3±13.0 °C at 760 mmHg
|
|
Water_Solubility:
|
Insoluble
|
|
PSA:
|
12.89000
|
|
Molecular_Structure:
|
['五分子性质数据 ', '1 . Molar refractive index 4708 ', '2 . Molar volume （m3/mol）1287 ', '3 . Parachor （902K）3411 ', '4 . Surface tension 493 ', '5 . Polarizability （10 -24cm 3）1866']
|
|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :N/A ', '6. TPSA 129 ', '7. Heavy Atom Count :11 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :138 ', '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:
|
34-37 °C(lit.)
|
|
MF:
|
C9H6ClN
|
|
Exact_Mass:
|
163.018875
|
|
FW:
|
163.604
|
|
Density:
|
1.3±0.1 g/cm3
|
|
More_Info:
|
['一物性数据 ', '1 . Melting point（ºC）34-37°C(lit ', '2 . Boiling point（ºC,Atmospheric pressure）266-267°C01mm Hg(lit) ', '3 . Density123g/mLat 25°C(lit ', '4 . Flash point（ºC）230°F']
|
