|
FW:
|
162.10900
|
|
MF:
|
C7H5F3O
|
|
Refractive_Index:
|
1.47
|
|
More_Info:
|
['1 . Appearance ', '2 . Density（g/mL,25/4℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC） ', '5 . Boiling point（ 15mm ºC） ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 . Refractive index147 ', '8 . Flash pointUnknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）不适用的 ', '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']
|
|
Vapor_Pressure:
|
0.261mmHg at 25°C
|
|
Bolling_Point:
|
155.5ºC at 760mmHg
|
|
Exact_Mass:
|
162.02900
|
|
PSA:
|
20.23000
|
|
Computational_Chemistry:
|
['1. XlogP :13 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA 202 ', '7. Heavy Atom Count :11 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :131 ', '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 3268 ', '2. Molar volume 1158 ', '3. Parachor （902K）2821 ', '4. Surface tension 351 ', '5. Dielectric constant N/A ', '6. Polarizability 1295 ', '7. Single isotope mass 162029249 Da ', '8. Nominal mass 162 Da ', '9. Average mass 1621092 Da']
|
|
LogP:
|
1.59620
|
|
Flash_Point:
|
53.9ºC
|
|
Density:
|
1.285g/cm3
|
