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MF:
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C10H21NO3
|
|
Bolling_Point:
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218 ºC
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Exact_Mass:
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203.152145
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More_Info:
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['1 . Appearance White 粉末 ', '2 . Density（g/mL,25℃）0995 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）57 ', '5 . Boiling point（ºC,Atmospheric pressure）218 ', '6 . Boiling point（ºC，48mmHg）Unknow ', '7 . Refractive index(n20/D)1451 ', '8 . Flash point（ºC）＞110 ', '9 . Specific rotation（º）23 ', '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 Unknow ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility Unknow']
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PSA:
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58.56000
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Flash_Point:
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137.1±23.2 °C
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Refractive_Index:
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1.451
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Density:
|
0.995
|
|
Molecular_Structure:
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['1. Molar refractive index 5516 ', '2. Molar volume 2042 ', '3. Parachor （902K）4892 ', '4. Surface tension 329 ', '5. Dielectric constant N/A ', '6. Polarizability 2186 ', '7. Single isotope mass 203152144 Da ', '8. Nominal mass 203 Da ', '9. Average mass 2032786 Da']
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Computational_Chemistry:
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['1. XlogP :16 ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :5 ', '5. Isotope Atom Count :2 ', '6. TPSA 586 ', '7. Heavy Atom Count :14 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :184 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :1 ', '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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FW:
|
203.279
|
|
LogP:
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1.71
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Vapor_Pressure:
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0.0±1.4 mmHg at 25°C
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