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Molecular_Structure:
|
['1. Molar refractive index 5732 ', '2. Molar volume 1692 ', '3. Parachor （902K）4551 ', '4. Surface tension 522 ', '5. Dielectric constant N/A ', '6. Polarizability 2272 ', '7. Single isotope mass 23404407 Da ', '8. Nominal mass 234 Da ', '9. Average mass 2341833 Da']
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|
LogP:
|
3.44440
|
|
Flash_Point:
|
151.6ºC
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|
Refractive_Index:
|
1.592
|
|
FW:
|
234.18300
|
|
Density:
|
1.383g/cm3
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|
Bolling_Point:
|
327.1ºC at 760mmHg
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|
Computational_Chemistry:
|
['1. XlogP :26 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :5 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :N/A ', '6. TPSA 679 ', '7. Heavy Atom Count :17 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :264 ', '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']
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|
Melting_Point:
|
98ºC
|
|
PSA:
|
67.94000
|
|
MF:
|
C11H7FN2O3
|
|
More_Info:
|
['1 . Appearance Unknow ', '2 . Density（g/mL, 20 ℃ ）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）98 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC 3mmHg）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºF）Unknow ', '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:
|
0.000394mmHg at 25°C
|
|
Exact_Mass:
|
234.04400
|
