|
Refractive_Index:
|
1.505
|
|
Vapor_Pressure:
|
2.0±0.3 mmHg at 25°C
|
|
Flash_Point:
|
50.6±0.0 °C
|
|
LogP:
|
2.58
|
|
Bolling_Point:
|
164.6±23.0 °C at 760 mmHg
|
|
PSA:
|
29.43000
|
|
Molecular_Structure:
|
['1 . Molar refractive index 3602 ', '2 . Molar volume （m3/mol）1214 ', '3 . Parachor （902K）2954 ', '4 . Surface tension 350 ', '5 . Polarizability 1428']
|
|
Computational_Chemistry:
|
['1. XlogP :28 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA 294 ', '7. Heavy Atom Count :10 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :154 ', '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:
|
C7H4FNO
|
|
Exact_Mass:
|
137.027695
|
|
FW:
|
137.111
|
|
Density:
|
1.1±0.1 g/cm3
|
|
More_Info:
|
['1. Appearance Unknow ', '2. Density（g/mL,25/4℃）1222g/mLat 25°C(lit)3. Relative vapor density（g/mL,Atmosphere =1）Unknow 4 . Melting point（ºC） Unknow 5 . Boiling point（ºC,Atmospheric pressure）56-58 °C Unknow ', '6. Boiling point（ºC,52kPa）Unknow ', '7. Refractive indexn 20/D 15144(lit) ', '8. Flash point（ºC）123°F9. 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']
|
