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Molecular_Structure:
|
['1. Molar refractive index 6165 ', '2. Molar volume 1764 ', '3. Parachor （902K）4619 ', '4. Surface tension 47 ', '5. Dielectric constant N/A ', '6. Polarizability 2444 ', '7. Single isotope mass 199099714 Da ', '8. Nominal mass 199 Da ', '9. Average mass 1992484 Da']
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Flash_Point:
|
184.4±14.2 °C
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|
Refractive_Index:
|
1.616
|
|
FW:
|
199.248
|
|
Density:
|
1.1±0.1 g/cm3
|
|
Bolling_Point:
|
362.6±17.0 °C at 760 mmHg
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|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :N/A ', '6. TPSA 352 ', '7. Heavy Atom Count :15 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :177 ', '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:
|
2.49
|
|
Melting_Point:
|
63-67 °C(lit.)
|
|
PSA:
|
35.25000
|
|
MF:
|
C13H13NO
|
|
More_Info:
|
['1 . Appearance Unknow ', '2 . Density（g/mL,15℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）63-67 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Refractive indexUnknow ', '7 . Flash point（ºC）Unknow ', '8 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '9 . Specific rotation（º） Unknow ', '10 . Vapor pressure（kPa,25ºC）Unknow ', '11 . Saturated vapor pressure（kPa,60ºC）Unknow ', '12 . Combustion heat（KJ/mol）Unknow ', '13 . Critical temperature（ºC）Unknow ', '14 . Critical pressure（KPa）Unknow ', '15 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient Unknow ', '16 . Upper limit of explosion（%,V/V）Unknow ', '17 . Lower limit of explosion（%,V/V）Unknow . Solubility Unknow']
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|
Vapor_Pressure:
|
0.0±0.8 mmHg at 25°C
|
|
Exact_Mass:
|
199.099716
|
