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Molecular_Structure:
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['1. Molar refractive index 393 ', '2. Molar volume 1205 ', '3. Parachor （902K）3304 ', '4. Surface tension 564 ', '5. Dielectric constant N/A ', '6. Polarizability 1558 ', '7. Single isotope mass 170037922 Da ', '8. Nominal mass 170 Da ', '9. Average mass 1701378 Da']
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|
LogP:
|
0.31910
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|
Flash_Point:
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80ºC
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|
FW:
|
170.13800
|
|
Bolling_Point:
|
213.4ºC at 760mmHg
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|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :N/A ', '6. TPSA 351 ', '7. Heavy Atom Count :12 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :168 ', '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 :2']
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|
Melting_Point:
|
57-59ºC
|
|
PSA:
|
57.53000
|
|
MF:
|
C8H7FO3
|
|
More_Info:
|
['1 . Appearance White to 粉色Solid ', '2 . Density（g/mL,20℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）58-59 ', '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 可Soluble in Water ']
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|
Vapor_Pressure:
|
0.164mmHg at 25°C
|
|
Exact_Mass:
|
170.03800
|
