Refractive_Index:
|
1.534
|
Vapor_Pressure:
|
1.4±0.3 mmHg at 25°C
|
Flash_Point:
|
61.4±21.8 °C
|
LogP:
|
1.80
|
Bolling_Point:
|
178.0±20.0 °C at 760 mmHg
|
PSA:
|
12.89000
|
Molecular_Structure:
|
['1 . Molar refractive index 3202 ', '2 . Molar volume (m3/mol)1030 ', '3 . Parachor (902K)2590 ', '4 . Surface tension 399 ', '5 . Dielectric constant ', '6 偶极距(10 -24cm 3) ', '7 . Polarizability 1269']
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Computational_Chemistry:
|
['1. XlogP :2 ', '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 :788 ', '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:
|
C5H3BrFN
|
Exact_Mass:
|
174.943283
|
FW:
|
175.986
|
Density:
|
1.7±0.1 g/cm3
|
More_Info:
|
['1 . Appearance Colourless 透明Liquid ', '2 . Density(g/mL,25/4℃)171g/mL ', '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, 750mm Hg)162-164°C ', '7 . Refractive indexn 20/D 15325 ', '8 . Flash point(ºF)165° ', '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 Unknow']
|