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Molecular_Structure:
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['1. Molar refractive index 3484 ', '2. Molar volume 1291 ', '3. Parachor （902K）3091 ', '4. Surface tension 327 ', '5. Dielectric constant N/A ', '6. Polarizability 1381 ', '7. Single isotope mass 117115364 Da ', '8. Nominal mass 117 Da ', '9. Average mass 1171894 Da']
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Flash_Point:
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90 ºC
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Refractive_Index:
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1.452
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FW:
|
117.189
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Density:
|
0.9
|
|
Bolling_Point:
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198.5±13.0 °C at 760 mmHg
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Computational_Chemistry:
|
['1 . XlogP 04 ', '2 . Hydrogen Bond Donor Count 2 ', '3 . Hydrogen Bond Acceptor Count 1 ', '4 . Rotatable Bond Count 2 ', '5 . Isotope Atom Count ', '6 . TPSA 479 ', '7 . Heavy Atom Count 8 ', '8 . Topological Polar Surface Area 1 ', '9 . Complexity 654 ', '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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|
LogP:
|
0.27
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|
Melting_Point:
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30-34ºC(lit.)
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|
PSA:
|
46.25000
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MF:
|
C6H15NO
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|
More_Info:
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['1 . Appearance White 结晶性粉末 ', '2 . Density（g/mL,25℃）09 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）30-34 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC，10mmHg）114-116 ', '7 . Refractive index(n20/D)Unknow ', '8 . Flash point（ºC）90 ', '9 . Specific rotation（º）38 ', '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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|
Vapor_Pressure:
|
0.1±0.8 mmHg at 25°C
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|
Exact_Mass:
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117.115364
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