|
Molecular_Structure:
|
['1. Molar refractive index 无可用 ', '2 . Molar volume 无可用 ', '3 . Parachor （902K）无可用 ', '4 . Surface tension 无可用']
|
|
Flash_Point:
|
234.0±30.2 °C
|
|
Refractive_Index:
|
1.660
|
|
FW:
|
314.289
|
|
Density:
|
1.52±0.1 g/cm3
|
|
Bolling_Point:
|
521.0±50.0 °C at 760 mmHg
|
|
Melting_Point:
|
305 ºC (分解) (chloroform )
|
|
Computational_Chemistry:
|
['1. XlogP :13 ', '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 :610 ', '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:
|
0.37
|
|
Water_Solubility:
|
Practically insoluble (0.012 g/L) (25 ºC)
|
|
PSA:
|
74.97000
|
|
MF:
|
C17H14O6
|
|
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）286-289（分解） ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º，C=1，氯仿中）-492 ', '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:
|
314.079041
|
