FW:
|
193.242
|
MF:
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C11H15NO2
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Refractive_Index:
|
1.539
|
More_Info:
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['1 . Appearance Solid ', '2 . Density(g/mL,25℃)Unknow ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)108-110 ', '5 . Boiling point(ºC,Atmospheric pressure)Unknow ', '6 . Boiling point(ºC, 57hPa)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(20ºC)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 Unknow']
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Vapor_Pressure:
|
0.0±0.7 mmHg at 25°C
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Bolling_Point:
|
322.4±15.0 °C at 760 mmHg
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Exact_Mass:
|
193.110275
|
PSA:
|
52.32000
|
Computational_Chemistry:
|
['1. XlogP :21 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :3 ', '6. TPSA 523 ', '7. Heavy Atom Count :14 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :200 ', '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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Molecular_Structure:
|
['1 . Molar refractive index 5612 ', '2 . Molar volume 1791 ', '3 . Parachor (902K)4524 ', '4 . Surface tension 406 ', '5 . Polarizability 2225 ', '6 . Dielectric constant 未确定']
|
LogP:
|
2.64
|
Melting_Point:
|
108-110 °C
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Flash_Point:
|
173.6±17.9 °C
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Density:
|
1.1±0.1 g/cm3
|