FW:
|
165.088
|
MF:
|
C6H3F4N
|
Refractive_Index:
|
1.473
|
Vapor_Pressure:
|
2.7±0.3 mmHg at 25°C
|
Bolling_Point:
|
157.7±35.0 °C at 760 mmHg
|
Exact_Mass:
|
165.020157
|
PSA:
|
26.02000
|
Computational_Chemistry:
|
['1. XlogP :N/A ', '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 :11 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :129 ', '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']
|
Molecular_Structure:
|
['1 . Molar refractive index 3046 ', '2 . Molar volume (m3/mol)1085 ', '3 . Parachor (902K)2616 ', '4 . Surface tension 337 ', '5 . Dielectric constant ', '6 偶极距(10 -24cm 3) ', '7 . Polarizability 1207']
|
LogP:
|
2.54
|
Melting_Point:
|
31-32 °C(lit.)
|
Flash_Point:
|
62.8±0.0 °C
|
Density:
|
1.5±0.1 g/cm3
|
More_Info:
|
['1 . Appearance 简单低共. Melting pointSolid 。 ', '2 . Density(g/mL,25/4℃)1744 ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)29-33 ', '5 . Boiling point(ºC,Atmospheric pressure)157-158 ', '6 . Boiling point(ºC,52kPa)Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point(ºC)63 ', '9 . Specific rotation(º)Unknow ', '10 . Spontaneous ignition point or ignition temperature(ºC)Unknow ', '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Soluble in Water 。']
|