|
Refractive_Index:
|
1.600
|
|
Vapor_Pressure:
|
0.0±1.2 mmHg at 25°C
|
|
Flash_Point:
|
238.9±24.0 °C
|
|
LogP:
|
2.65
|
|
Bolling_Point:
|
471.4±28.0 °C at 760 mmHg
|
|
PSA:
|
88.28000
|
|
Molecular_Structure:
|
['1. Molar refractive index 731 ', '2. Molar volume 2135 ', '3. Parachor （902K）5722 ', '4. Surface tension 515 ', '5. Dielectric constant N/A ', '6. Polarizability 2897 ', '7. Single isotope mass 315003526 Da ', '8. Nominal mass 315 Da ', '9. Average mass 3153405 Da']
|
|
Computational_Chemistry:
|
['1. XlogP :26 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :6 ', '4. Rotatable Bond Count :4 ', '5. Isotope Atom Count :N/A ', '6. TPSA 883 ', '7. Heavy Atom Count :20 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :461 ', '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']
|
|
Melting_Point:
|
114-116 °C
|
|
MF:
|
C12H10FNO4S2
|
|
Exact_Mass:
|
315.003540
|
|
FW:
|
315.341
|
|
Density:
|
1.5±0.1 g/cm3
|
|
More_Info:
|
['1 . Appearance White or 奶油色的粉末 ', '2 . Density（g/mL,20℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）114-116 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,KPa）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º）Unknow ', '10. Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11. Vapor pressure（Pa,20ºC）Unknow ', '12. Saturated vapor pressure（KPa,20ºC）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']
|
