|
Refractive_Index:
|
1.609
|
|
Vapor_Pressure:
|
0.0±0.6 mmHg at 25°C
|
|
Flash_Point:
|
123.9±25.9 °C
|
|
LogP:
|
4.02
|
|
Bolling_Point:
|
281.3±35.0 °C at 760 mmHg
|
|
PSA:
|
20.23000
|
|
Molecular_Structure:
|
['五分子性质数据 ', '1 . Molar refractive index 4281 ', '2 . Molar volume （m3/mol）1237 ', '3 . Parachor （902K）3298 ', '4 . Surface tension 505 ', '5 . Polarizability （10 -24cm 3）1697']
|
|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :2 ', '6. TPSA 202 ', '7. Heavy Atom Count :10 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :108 ', '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:
|
101ºC
|
|
MF:
|
C6H3Cl3O
|
|
Exact_Mass:
|
195.924942
|
|
FW:
|
197.446
|
|
Density:
|
1.6±0.1 g/cm3
|
|
More_Info:
|
['物性数据 1 . Appearance 针状结晶 ', '2 . Melting point（℃）101 ', '3 . Boiling point（ºC,9946kpa）271-277 ', '4 . Solubility Soluble in Ethyl ether ，微Soluble in Water ', '5 . Oil-water分配系数（LogP）401']
|
