|
Molecular_Structure:
|
['1 . Molar refractive index 7601 ', '2 . Molar volume 1995 ', '3 . Parachor （902K）5746 ', '4 . Surface tension 687 ', '5 . Dielectric constant 无可用 ', '6 偶极距（10-24cm3）无可用 ', '7 . Polarizability 3013']
|
|
Flash_Point:
|
237.7±30.2 °C
|
|
Refractive_Index:
|
1.687
|
|
FW:
|
312.274
|
|
Density:
|
1.6±0.1 g/cm3
|
|
Bolling_Point:
|
528.2±50.0 °C at 760 mmHg
|
|
Computational_Chemistry:
|
['1 . XlogP 16 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 6 ', '4 . Rotatable Bond Count 1 ', '5 . Isotope Atom Count 10 ', '6 . TPSA 711 ', '7 . Heavy Atom Count 23 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 650 ', '10 . Isotope Atom Count 0 ', '11 . Defined Atom Stereocenter Count 2 ', '12 . Undefined Atom Stereocenter Count 0 ', '13 . Defined Bond Stereocenter Count 0 ', '14 . Undefined Bond Stereocenter Count 0 ', '15 . Covalently-Bonded Unit Count 1']
|
|
LogP:
|
0.45
|
|
Melting_Point:
|
268-269 ℃
|
|
PSA:
|
74.97000
|
|
MF:
|
C17H12O6
|
|
More_Info:
|
['1 . Appearance Colourless or 淡Yellow 结晶。呈蓝色荧光。 ', '2 . Density（g/mL,25/4℃） Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）268-269（分解） ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC）2 ', '9 . Specific rotation（º，C=01，氯仿中）-558 ', '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 Soluble in 氯仿and Ethanol ，微Soluble in Water 。']
|
|
Vapor_Pressure:
|
0.0±1.4 mmHg at 25°C
|
|
Exact_Mass:
|
312.063385
|
