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Refractive_Index:
|
1.586
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|
Vapor_Pressure:
|
0.0±2.1 mmHg at 25°C
|
|
Flash_Point:
|
209.4±24.4 °C
|
|
LogP:
|
-1.43
|
|
Bolling_Point:
|
399.3±42.0 °C at 760 mmHg
|
|
PSA:
|
115.06000
|
|
Molecular_Structure:
|
['五分子性质数据 ', '1 . Molar refractive index 2669 ', '2 . Molar volume 795 ', '3 . Parachor （902K）2631 ', '4 . Surface tension 1194 5 . Polarizability （10 ', '-24cm ', '3）1058']
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Computational_Chemistry:
|
['四计算化学数据 ', '1 . XlogP -19 ', '2 . Hydrogen Bond Donor Count 4 ', '3 . Hydrogen Bond Acceptor Count 6 ', '4 . Rotatable Bond Count 3 ', '5 . TPSA 115 ', '6 . Heavy Atom Count 10 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 134 ', '9 . Isotope Atom Count 0 ', '10 . Defined Atom Stereocenter Count 2 ', '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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|
Melting_Point:
|
166-170ºC
|
|
MF:
|
C4H6O6
|
|
Exact_Mass:
|
150.016434
|
|
FW:
|
150.087
|
|
Density:
|
1.9±0.1 g/cm3
|
|
More_Info:
|
['1 . Appearance 单斜棱柱状结晶。 2 . Density（g/mL,20℃）17598 3 . Melting point（ºC）1725 4 . Flash point（ºC）210 5 . Specific rotation（º）-121 6 . Solubility Soluble in Water 沸Water 甲醇 Ethanol 丙醇 Ethyl ether ，Soluble in 甘油Insoluble in 氯仿。 7 ', '. Refractive index ', '(n ', '20 ', 'D)14955']
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