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Molecular_Structure:
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['1. Molar refractive index 20238 ', '2. Molar volume 5989 ', '3. Parachor （902K）17558 ', '4. Surface tension 738 ', '5. Dielectric constant N/A ', '6. Polarizability 8023 ', '7. Single isotope mass 972316941 Da ', '8. Nominal mass 972 Da ', '9. Average mass 9728436 Da']
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Flash_Point:
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807.1±32.9 °C
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Refractive_Index:
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1.591
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FW:
|
972.844
|
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Density:
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1.6±0.1 g/cm3
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Bolling_Point:
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1410.8±60.0 °C at 760 mmHg
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Computational_Chemistry:
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['1 . XlogP -129 ', '2 . Hydrogen Bond Donor Count 18 ', '3 . Hydrogen Bond Acceptor Count 30 ', '4 . Rotatable Bond Count 6 ', '5 . TPSA 475 ', '6 . Heavy Atom Count 66 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 1250 ', '9 . Isotope Atom Count 0 ', '10 . Defined Atom Stereocenter Count 30 ', '11 . Undefined Atom Stereocenter Count 0 ', '12 . Defined Bond Stereocenter Count 0 ', '13 . Undefined Bond Stereocenter Count 0 ', '14 . Covalently-Bonded Unit Count 1']
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LogP:
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-6.55
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Melting_Point:
|
278ºC
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|
PSA:
|
474.90000
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|
MF:
|
C36H60O30
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More_Info:
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['1 . Appearance White 粉末 ', '2 . Density（g/mL,20℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）295-300 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC） Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（kPa,25ºC）Unknow ', '12 . Saturated vapor pressure（kPa,60ºC）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 Soluble in Water ,难Soluble in 甲醇 Ethanol and 丙酮。']
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Vapor_Pressure:
|
0.0±0.6 mmHg at 25°C
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|
Exact_Mass:
|
972.316956
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