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Molecular_Structure:
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['1. Molar refractive index 5334 ', '2. Molar volume 1608 ', '3. Parachor （902K）3992 ', '4. Surface tension 379 ', '5. Dielectric constant N/A ', '6. Polarizability 2114 ', '7. Single isotope mass 245990535 Da ', '8. Nominal mass 246 Da ', '9. Average mass 2460881 Da']
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LogP:
|
4.77
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Flash_Point:
|
99.1±7.7 °C
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Refractive_Index:
|
1.578
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FW:
|
246.088
|
|
Density:
|
1.5±0.1 g/cm3
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|
Bolling_Point:
|
229.4±9.0 °C at 760 mmHg
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|
Computational_Chemistry:
|
['1. XlogP :39 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :0 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :N/A ', '6. TPSA 0 ', '7. Heavy Atom Count :10 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :827 ', '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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|
MF:
|
C9H11I
|
|
More_Info:
|
['1 . Appearance Colourless or Yellow 的Liquid ', '2 . Density（g/mL,20℃）152 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,16KPa）120-122 ', '7 . Refractive indexn20/D 15790 ', '8 . Flash point（ºC）240-242 ', '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 Insoluble in Water ']
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|
Vapor_Pressure:
|
0.1±0.4 mmHg at 25°C
|
|
Exact_Mass:
|
245.990540
|
