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Molecular_Structure:
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['1. Molar refractive index 4509 ', '2. Molar volume 1697 ', '3. Parachor （902K）3873 ', '4. Surface tension 27 ', '5. Dielectric constant N/A ', '6. Polarizability 1787 ', '7. Single isotope mass 1391361 Da ', '8. Nominal mass 139 Da ', '9. Average mass 139238 Da']
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LogP:
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2.17720
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Flash_Point:
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18ºC
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Refractive_Index:
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n20/D 1.432(lit.)
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FW:
|
139.23800
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Density:
|
0.787 g/mL at 25ºC(lit.)
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Bolling_Point:
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136ºC(lit.)
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Computational_Chemistry:
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['1 . XlogP 71 ', '2 . Hydrogen Bond Donor Count 1 ', '3 . Hydrogen Bond Acceptor Count 8 ', '4 . Rotatable Bond Count 17 ', '5 . Isotope Atom Count 未确定 ', '6 . TPSA 104 ', '7 . Heavy Atom Count 41 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 853 ', '10 . Isotope Atom Count 0 ', '11 . Defined Atom Stereocenter Count 1 ', '12 . Undefined Atom Stereocenter Count 0 ', '13 . Defined Bond Stereocenter Count 1 ', '14 . Undefined Bond Stereocenter Count 0 ', '15 . Covalently-Bonded Unit Count 1']
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PSA:
|
12.03000
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MF:
|
C9H17N
|
|
More_Info:
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['1 . Appearance Unknow ', '2 . Density（g/mL,15℃）0787 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）136 ', '6 . Refractive index1432 ', '7 . Flash point（ºC）18 ', '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 ', '18 . Solubility Unknow']
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Vapor_Pressure:
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0.895mmHg at 25°C
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Exact_Mass:
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139.13600
|
