|
Refractive_Index:
|
1.563
|
|
Vapor_Pressure:
|
0.3±0.4 mmHg at 25°C
|
|
Flash_Point:
|
97.2±0.0 °C
|
|
LogP:
|
2.35
|
|
Bolling_Point:
|
203.4±13.0 °C at 760 mmHg
|
|
Water_Solubility:
|
insoluble
|
|
PSA:
|
23.79000
|
|
Molecular_Structure:
|
['1 . Molar refractive index 3614 ', '2 . Molar volume （m3/mol）1112 ', '3 . Parachor （902K）2901 ', '4 . Surface tension 462 ', '5 . Dielectric constant ', '6 偶极距（10 -24cm 3） ', '7 . Polarizability 1433']
|
|
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 238 ', '7. Heavy Atom Count :9 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :135 ', '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:
|
38-40 °C(lit.)
|
|
MF:
|
C7H4ClN
|
|
Exact_Mass:
|
137.003220
|
|
FW:
|
137.566
|
|
Density:
|
1.2±0.1 g/cm3
|
|
More_Info:
|
['1 . Appearance White 结晶体 ', '2 . Density（g/mL,25/4℃）114 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）38-42 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC, 11 mmHg）94 °C ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC）207°F ', '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 ']
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