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Molecular_Structure:
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['1. Molar refractive index 5979 ', '2. Molar volume 2207 ', '3. Parachor （902K）529 ', '4. Surface tension 33 ', '5. Dielectric constant N/A ', '6. Polarizability 237 ', '7. Single isotope mass 217167794 Da ', '8. Nominal mass 217 Da ', '9. Average mass 2173052 Da']
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Flash_Point:
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146.9±23.2 °C
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Refractive_Index:
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1.454
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FW:
|
217.305
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Density:
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1.0±0.1 g/cm3
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Bolling_Point:
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319.3±25.0 °C at 760 mmHg
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Computational_Chemistry:
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['1 . XlogP 2 ', '2 . Hydrogen Bond Donor Count 2 ', '3 . Hydrogen Bond Acceptor Count 3 ', '4 . Rotatable Bond Count 6 ', '5 . Isotope Atom Count 2 ', '6 . TPSA 586 ', '7 . Heavy Atom Count 15 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 199 ', '10. Isotope Atom Count 0 ', '11. Defined Atom Stereocenter Count 1 ', '12. Undefined Atom Stereocenter Count 1 ', '13. Defined Bond Stereocenter Count 0 ', '14. Undefined Bond Stereocenter Count 0 ', '15. Covalently-Bonded Unit Count 1']
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LogP:
|
2.25
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Melting_Point:
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121-126ºC 0.6 mm Hg
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PSA:
|
58.56000
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MF:
|
C11H23NO3
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More_Info:
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['1 . Appearance Colourless or Yellow Liquid ', '2 . Density（g/mL,25℃）Unknow ', '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，06mmHg）121-126 ', '7 . Refractive index(n20/D)1455 ', '8 . Flash point（ºC）＞110 ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（mmHg,20ºC）Unknow ', '12 . Saturated vapor pressure（kPa,25ºC）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 1877 ', '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:
|
0.0±1.5 mmHg at 25°C
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|
Exact_Mass:
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217.167801
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