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Refractive_Index:
|
1.701
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|
Vapor_Pressure:
|
0.0±1.7 mmHg at 25°C
|
|
Flash_Point:
|
322.1±26.6 °C
|
|
LogP:
|
0.44
|
|
Bolling_Point:
|
585.8±50.0 °C at 760 mmHg
|
|
Water_Solubility:
|
1.5 g/100 mL (20 ºC)
|
|
FW:
|
254.150
|
|
PSA:
|
149.20000
|
|
Computational_Chemistry:
|
['1 . XlogP 0 ', '2 . Hydrogen Bond Donor Count 4 ', '3 . Hydrogen Bond Acceptor Count 8 ', '4 . Rotatable Bond Count 4 ', '5 . Isotope Atom Count ', '6 . TPSA 149 ', '7 . Heavy Atom Count 18 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 327 ', '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']
|
|
Melting_Point:
|
281-284.5 °C(lit.)
|
|
MF:
|
C10H6O8
|
|
Exact_Mass:
|
254.006271
|
|
Molecular_Structure:
|
['1 . Molar refractive index 5397 ', '2 . Molar volume 1395 ', '3 . Parachor （902K）4557 ', '4 . Surface tension 1137 ', '5 . Polarizability 2139']
|
|
Density:
|
1.8±0.1 g/cm3
|
|
More_Info:
|
['1 . Appearance White to 微Yellow 粉末状结晶。 ', '2 . Density（g/mL,25/4℃）179 ', '3 . Melting point（ºC）Unknow ', '4 . Melting point（ºC）276℃（无Water 物），242℃（带2分子结晶Water ）， ', '5 晶相相标准. Combustion heat(焓)(kJ·mol-1)-324402 ', '6 晶相标准声称热(焓)( kJ·mol-1)-154858 ', '7 晶相相标准. Combustion heat(焓)(kJ·mol-1)-322176 ', '8 晶相标准声称热(焓)( kJ·mol-1)-157084 ', '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 易Soluble in 醇，微Soluble in Ethyl ether and Water 。能升华。']
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