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Molecular_Structure:
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['1. Molar refractive index 6654 ', '2. Molar volume 1817 ', '3. Parachor （902K）4831 ', '4. Surface tension 499 ', '5. Dielectric constant N/A ', '6. Polarizability 2637 ', '7. Single isotope mass 214110613Da ', '8. Nominal mass 214Da ', '9. Average mass 2142631Da']
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LogP:
|
3.67520
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Flash_Point:
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177.9ºC
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|
Refractive_Index:
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1.653
|
|
FW:
|
214.26300
|
|
Density:
|
1.178g/cm3
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|
Bolling_Point:
|
370.6ºC at 760 mmHg
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|
Computational_Chemistry:
|
['1 . XlogP 28 ', '2 . Hydrogen Bond Donor Count 2 ', '3 . Hydrogen Bond Acceptor Count 3 ', '4 . Rotatable Bond Count 3 ', '5 . Isotope Atom Count ', '6 . TPSA 473 ', '7 . Heavy Atom Count 16 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 204 ', '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:
|
86-88ºC
|
|
PSA:
|
47.28000
|
|
MF:
|
C13H14N2O
|
|
More_Info:
|
['1 . Appearance Unknow ', '2 . Density（g/mLat 25°C）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）86-88 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,01mmHg）Unknow ', '7 . Refractive index（n20/D）Unknow ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（mmHg,37ºC）Unknow ', '12 . Saturated vapor pressure（kPa,1144 ºC）Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（MPa）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']
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|
Exact_Mass:
|
214.11100
|
