|
Refractive_Index:
|
1.581
|
|
Vapor_Pressure:
|
0.4±0.4 mmHg at 25°C
|
|
Flash_Point:
|
81.0±5.9 °C
|
|
LogP:
|
3.77
|
|
Bolling_Point:
|
205.1±20.0 °C at 760 mmHg
|
|
FW:
|
236.025
|
|
More_Info:
|
['1 . Appearance 淡Yellow Liquid ', '2 . Density（g/mL, 25 ℃ ）181 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC，15mmHg）90 ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC）87 ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow 11 . Vapor pressure（ 20ºC ） 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 Unknow']
|
|
Computational_Chemistry:
|
['1. XlogP :3 ', '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 0 ', '7. Heavy Atom Count :9 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :949 ', '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:
|
C7H6FI
|
|
Exact_Mass:
|
235.949814
|
|
Molecular_Structure:
|
['1 . Molar refractive index 4397 ', '2 . Molar volume （m3/mol）1319 ', '3 . Parachor （902K）3276 ', '4 . Surface tension 379 ', '5 . Polarizability 1743']
|
|
Density:
|
1.8±0.1 g/cm3
|
