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Refractive_Index:
|
1.586
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|
Vapor_Pressure:
|
0.0±0.8 mmHg at 25°C
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|
Flash_Point:
|
149.4±17.2 °C
|
|
LogP:
|
1.33
|
|
Bolling_Point:
|
353.4±27.0 °C at 760 mmHg
|
|
PSA:
|
66.76000
|
|
Molecular_Structure:
|
['五分子性质数据 ', '1 . Molar refractive index 4174 ', '2 . Molar volume 1243 ', '3 . Parachor （902K）3410 ', '4 . Surface tension 565 ', '5 . Dielectric constant ', '6 偶极距（10-24cm3） ', '7 . Polarizability 1654']
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|
Computational_Chemistry:
|
['1 . XlogP 14 ', '2 . Hydrogen Bond Donor Count 2 ', '3 . Hydrogen Bond Acceptor Count 4 ', '4 . Rotatable Bond Count 2 ', '5 . Isotope Atom Count 4 ', '6 . TPSA 668 ', '7 . Heavy Atom Count 12 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 168 ', '10 . Isotope Atom Count 0 ', '11 . Defined Atom Stereocenter Count 0 ', '12 . Undefined Atom Stereocenter Count 0 ', '13 . Defined Bond Stereocenter Count 0 ', '14 . Undefined Bond Stereocenter Count 0 ', '15 . Covalently-Bonded Unit Count 1']
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|
Melting_Point:
|
208-210 °C(lit.)
|
|
MF:
|
C8H8O4
|
|
Exact_Mass:
|
168.042252
|
|
FW:
|
168.147
|
|
Density:
|
1.4±0.1 g/cm3
|
|
More_Info:
|
['1 . Appearance White to 淡Yellow 晶体。 ', '2 . Melting point（℃）210-213 ', '3 . Boiling point（ºC）3534 ', '4 . Flash point（ºC）1494 ', '5 相对. Density(d204) 1351 ', '6 . Solubility 易Soluble in Ethanol ，Soluble in Ethyl ether ，微Soluble in Water 。']
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