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Molecular_Structure:
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['1. Molar refractive index 9601 ', '2. Molar volume 271 ', '3. Parachor （902K）7395 ', '4. Surface tension 554 ', '5. Dielectric constant N/A ', '6. Polarizability 3806 ', '7. Single isotope mass 326199428 Da ', '8. Nominal mass 326 Da ', '9. Average mass 3264326 Da']
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Flash_Point:
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255.2±24.6 °C
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Refractive_Index:
|
1.626
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FW:
|
326.433
|
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Density:
|
1.2±0.1 g/cm3
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|
Bolling_Point:
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498.4±30.0 °C at 760 mmHg
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Computational_Chemistry:
|
['1 . XlogP 31 ', '2 . Hydrogen Bond Donor Count 1 ', '3 . Hydrogen Bond Acceptor Count 4 ', '4 . Rotatable Bond Count 4 ', '5 . Isotope Atom Count 未确定 ', '6 . TPSA 456 ', '7 . Heavy Atom Count 24 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 432 ', '10 . Isotope Atom Count 0 ', '11 . Defined Atom Stereocenter Count 3 ', '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:
|
3.77
|
|
Melting_Point:
|
169-170 ºC
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|
PSA:
|
45.59000
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|
MF:
|
C20H26N2O2
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|
More_Info:
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['1 . Appearance Unknow ', '2 . Density（g/mL,15℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）169-170 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Refractive indexUnknow ', '7 . Flash point（ºC）Unknow ', '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 01g/mL, clear']
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|
Vapor_Pressure:
|
0.0±1.3 mmHg at 25°C
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|
Exact_Mass:
|
326.199432
|
