|
Refractive_Index:
|
1.460
|
|
Vapor_Pressure:
|
1.6±0.3 mmHg at 25°C
|
|
Flash_Point:
|
53.3±0.0 °C
|
|
LogP:
|
2.59
|
|
Bolling_Point:
|
168.7±35.0 °C at 760 mmHg
|
|
FW:
|
179.115
|
|
PSA:
|
26.02000
|
|
Computational_Chemistry:
|
['1. XlogP :22 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :5 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :N/A ', '6. TPSA 26 ', '7. Heavy Atom Count :12 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :156 ', '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:
|
C7H5F4N
|
|
Exact_Mass:
|
179.035812
|
|
Molecular_Structure:
|
['1. Molar refractive index 3546 ', '2. Molar volume 1294 ', '3. Parachor （902K）2974 ', '4. Surface tension 278 ', '5. Dielectric constant N/A ', '6. Polarizability 1405 ', '7. Single isotope mass 179035812 Da ', '8. Nominal mass 179 Da ', '9. Average mass 1791149 Da']
|
|
Density:
|
1.4±0.1 g/cm3
|
|
More_Info:
|
['1 . Appearance 浅Yellow Liquid ', '2 . Density（g/mL, 20 ℃ ） 138 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）155 ', '6 . Boiling point（ºC 1mm ）Unknow ', '7 . Refractive indexn20/D1462 ', '8 . Flash point（ºF）128 ºF ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）53 ', '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 不能拌and or 难以拌and ']
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