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Molecular_Structure:
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['五分子性质数据 ', '1 . Molar refractive index 9823 ', '2 . Molar volume （m3/mol）3600 ', '3 . Parachor （902K）8592 ', '4 . Surface tension 324 ', '5 . Polarizability 3894']
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Flash_Point:
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190.4±19.6 °C
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Refractive_Index:
|
1.458
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FW:
|
340.497
|
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Density:
|
0.9±0.1 g/cm3
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|
Bolling_Point:
|
409.8±18.0 °C at 760 mmHg
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Computational_Chemistry:
|
['四计算化学数据 ', '1 . XlogP 65 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 4 ', '4 . Rotatable Bond Count 16 ', '5 . TPSA 526 ', '6 . Heavy Atom Count 24 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 329 ', '9 . Isotope Atom Count 0 ', '10 . Defined Atom Stereocenter Count 2 ', '11 . Undefined Atom Stereocenter Count 0 ', '12 . Defined Bond Stereocenter Count 1 ', '13 . Undefined Bond Stereocenter Count 0 ', '14 . Covalently-Bonded Unit Count 1']
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|
LogP:
|
7.69
|
|
Melting_Point:
|
-58ºC(lit.)
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|
PSA:
|
52.60000
|
|
MF:
|
C20H36O4
|
|
More_Info:
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['一物性数据 ', '1 . Density（g/mL,25/4℃）094 ', '2 . Melting point（ºC）-58 ºC ', '3 . Boiling point（ºC,Atmospheric pressure）185 ºC ', '4 . Refractive index 1458 ', '5 . Flash point（ºC） 190 ºC']
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|
Vapor_Pressure:
|
0.0±1.0 mmHg at 25°C
|
|
Exact_Mass:
|
340.261353
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