|
Refractive_Index:
|
1.477
|
|
Vapor_Pressure:
|
7.7±0.2 mmHg at 25°C
|
|
Flash_Point:
|
38.7±21.8 °C
|
|
LogP:
|
1.30
|
|
Bolling_Point:
|
140.4±20.0 °C at 760 mmHg
|
|
FW:
|
111.117
|
|
PSA:
|
12.89000
|
|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :N/A ', '6. TPSA 129 ', '7. Heavy Atom Count :8 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :749 ', '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:
|
C6H6FN
|
|
Exact_Mass:
|
111.048424
|
|
Molecular_Structure:
|
['1 . Molar refractive index 2916 ', '2 . Molar volume （m3/mol）1031 ', '3 . Parachor （902K）2461 ', '4 . Surface tension 324 ', '5 . Polarizability （10 -24cm 3）1156']
|
|
Density:
|
1.1±0.1 g/cm3
|
|
More_Info:
|
['一物性数据 ', '. Appearance Colourless 透明Liquid . Density（g/mL,25/4 ℃ ） 1077 . Relative vapor density（g/mL,Atmosphere =1） 不可用 ', '. Melting point（ºC）不可用 . Boiling point（ºC,Atmospheric pressure） 140-141 . Boiling point（ºC,52kPa） 不可用 ', '. Refractive index147 ', '. Flash point（ºC）不可用 ', '. Specific rotation（º）不可用 ', '. Spontaneous ignition point or ignition temperature（ºC）不可用 ', '. Vapor pressure（kPa,25ºC）不可用 ', '. Saturated vapor pressure（kPa,60ºC）不可用 ', '. Combustion heat（KJ/mol）不可用 ', '. Critical temperature（ºC）不可用 ', '. Critical pressure（KPa）不可用 ', '. Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient 不可用 ', '. Upper limit of explosion（%,V/V）不可用 ', '. Lower limit of explosion（%,V/V）不可用 ', '. Solubility 不可用']
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