|
Refractive_Index:
|
1.686
|
|
Vapor_Pressure:
|
0.0±1.9 mmHg at 25°C
|
|
Flash_Point:
|
335.0±31.5 °C
|
|
LogP:
|
-1.50
|
|
Bolling_Point:
|
630.3±55.0 °C at 760 mmHg
|
|
Water_Solubility:
|
practically insoluble
|
|
PSA:
|
90.65000
|
|
Molecular_Structure:
|
['1 . Molar refractive index 3503 ', '2 . Molar volume 920 ', '3 . Parachor （902K）2935 ', '4 . Surface tension 1034 ', '5 . Dielectric constant ', '6 偶极距（10-24cm3） ', '7 . Polarizability 1388']
|
|
Computational_Chemistry:
|
['1 . XlogP -07 ', '2 . Hydrogen Bond Donor Count 3 ', '3 . Hydrogen Bond Acceptor Count 4 ', '4 . Rotatable Bond Count 1 ', '5 . Isotope Atom Count 2 ', '6 . TPSA 866 ', '7 . Heavy Atom Count 11 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 276 ', '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:
|
>300 °C(lit.)
|
|
MF:
|
C6H5NO4
|
|
Exact_Mass:
|
155.021851
|
|
FW:
|
155.108
|
|
Density:
|
1.7±0.1 g/cm3
|
|
More_Info:
|
['1 . Appearance 淡Yellow 针状结晶or 粉末 ', '2 . Density（g/mL,25℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）>300 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,30mmHg）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC） ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）: Unknow ', '11 . Vapor pressure（mmHg,119ºC）Unknow ', '12 . Saturated vapor pressure（kPa, 1193ºC）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 ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility 几乎Insoluble in 冷Water 。']
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