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Molecular_Structure:
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['1. Molar refractive index 6219 ', '2. Molar volume 1967 ', '3. Parachor （902K）5009 ', '4. Surface tension 42 ', '5. Dielectric constant N/A ', '6. Polarizability 2465 ', '7. Single isotope mass 219125929 Da ', '8. Nominal mass 219 Da ', '9. Average mass 2192796 Da']
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Flash_Point:
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138ºC
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|
Refractive_Index:
|
1.544
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FW:
|
219.28000
|
|
Density:
|
1.114g/cm3
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Bolling_Point:
|
83ºC (0.1 torr)
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Computational_Chemistry:
|
['1. XlogP :27 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :N/A ', '6. TPSA 295 ', '7. Heavy Atom Count :16 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :270 ', '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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|
LogP:
|
3.04920
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|
Melting_Point:
|
46-50ºC
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|
PSA:
|
29.54000
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|
MF:
|
C13H17NO2
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|
More_Info:
|
['1 . Appearance White or 浅棕色晶体。 ', '2 . Density（g/mL,25/4℃） Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）45-49 ', '5 . Boiling point（ºC）150（15mmHg） ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point>230 ºF ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）>110 ', '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 不可Soluble in Water ']
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|
Vapor_Pressure:
|
0.000869mmHg at 25°C
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|
Exact_Mass:
|
219.12600
|
