|
Refractive_Index:
|
1.549
|
|
Vapor_Pressure:
|
0.2±0.4 mmHg at 25°C
|
|
Flash_Point:
|
82.2±22.3 °C
|
|
LogP:
|
2.53
|
|
Bolling_Point:
|
208.0±20.0 °C at 760 mmHg
|
|
FW:
|
189.039
|
|
PSA:
|
17.07000
|
|
Computational_Chemistry:
|
['1 . XlogP 29 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 1 ', '4 . Rotatable Bond Count 1 ', '5 . Isotope Atom Count 2 ', '6 . TPSA 171 ', '7 . Heavy Atom Count 11 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 148 ', '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:
|
37-41 °C(lit.)
|
|
MF:
|
C8H6Cl2O
|
|
Exact_Mass:
|
187.979568
|
|
Molecular_Structure:
|
['1. Molar refractive index 4607 ', '2. Molar volume 1448 ', '3. Parachor （902K）3641 ', '4. Surface tension 399 ', '5. Dielectric constant N/A ', '6. Polarizability 1826 ', '7. Single isotope mass 18797957Da ', '8. Nominal mass 188Da ', '9. Average mass 1890386Da']
|
|
Density:
|
1.3±0.1 g/cm3
|
|
More_Info:
|
['1 . Appearance 晶体 ', '2 . Density（g/mL,20ºC）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）41-44 ', '5 . Boiling point（ºC）Unknow ', '6 . Boiling point（ºC，83mmHg）176-180 ', '7 . Refractive indexUnknow ', '8 . Flash point（°F）>230 ', '9 . Specific rotation（ºF）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（hPa,20ºC）Unknow ', '12 . Saturated vapor pressure（kPa,25ºC）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 不能溶解的']
|
