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Molecular_Structure:
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['分子性质数据 ', '1 . Molar refractive index 6124 ', '2 . Molar volume （m3/mol）2143 ', '3 . Parachor （902K）5510 ', '4 . Surface tension 436 ', '5 . Polarizability 2428']
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Flash_Point:
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173.2±27.9 °C
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|
Refractive_Index:
|
1.483
|
|
FW:
|
260.284
|
|
Density:
|
1.2±0.1 g/cm3
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|
Bolling_Point:
|
362.8±42.0 °C at 760 mmHg
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|
Computational_Chemistry:
|
['四计算化学数据 ', '1 . XlogP 0 ', '2 . Hydrogen Bond Donor Count 1 ', '3 . Hydrogen Bond Acceptor Count 6 ', '4 . Rotatable Bond Count 1 ', '5 . TPSA 664 ', '6 . Heavy Atom Count 18 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 342 ', '9 . Isotope Atom Count 0 ', '10 . Defined Atom Stereocenter Count 5 ', '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:
|
1.92
|
|
Melting_Point:
|
107-110ºC
|
|
PSA:
|
66.38000
|
|
MF:
|
C12H20O6
|
|
More_Info:
|
['一物性数据 ', '1 . Melting point（℃）107-110 ', '2 . Specific rotation（º, C=5, ETOH）-11 ', '3 . Solubility 略Soluble in Water ', ' White 结晶粉末。']
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|
Vapor_Pressure:
|
0.0±1.8 mmHg at 25°C
|
|
Exact_Mass:
|
260.125977
|
