|
Refractive_Index:
|
n20/D 1.466(lit.)
|
|
Vapor_Pressure:
|
0.389mmHg at 25°C
|
|
Flash_Point:
|
178 °F
|
|
LogP:
|
3.22350
|
|
Bolling_Point:
|
188-189 °C(lit.)
|
|
FW:
|
226.55500
|
|
PSA:
|
17.07000
|
|
Computational_Chemistry:
|
['1. XlogP :34 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :5 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA 171 ', '7. Heavy Atom Count :14 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :228 ', '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']
|
|
MF:
|
C8H3ClF4O
|
|
Exact_Mass:
|
225.98100
|
|
Molecular_Structure:
|
['1. Molar refractive index 4147 ', '2. Molar volume 1535 ', '3. Parachor （902K）3554 ', '4. Surface tension 287 ', '5. Dielectric constant N/A ', '6. Polarizability 1644 ', '7. Single isotope mass 225980855 Da ', '8. Nominal mass 226 Da ', '9. Average mass 2265554 Da']
|
|
Density:
|
1.5 g/mL at 25 °C(lit.)
|
|
More_Info:
|
['1 . Appearance 有刺激性气味的Colourless Liquid ', '2 . Density（g/mL,20℃）15 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）188-189 ', '6 . Boiling point（ºC,KPa）Unknow ', '7 . Refractive indexn20/D 1466 ', '8 . Flash point（ºC）811 ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（Pa,20ºC）Unknow ', '12 . Saturated vapor pressure（KPa,20ºC）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 Unknow']
|
