|
MF:
|
C7H5NO4
|
|
Bolling_Point:
|
441.1±30.0 °C at 760 mmHg
|
|
Exact_Mass:
|
167.021851
|
|
More_Info:
|
['1 . Appearance 微褐色叶状or 棱柱状结晶。 ', '2 . Density（g/mL,20℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow 4 . Melting point（ºC）254 5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC, 06mmHg）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）: Unknow ', '11 . Vapor pressure（mmHg, 20ºC）Unknow ', '12 . Saturated vapor pressure（kPa, ºC）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 微Soluble in 沸Water and 沸 Ethanol ，几乎Insoluble in 冷Water Ethanol Ethyl ether and 苯。']
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|
Melting_Point:
|
242-247 °C (dec.)(lit.)
|
|
PSA:
|
87.49000
|
|
Flash_Point:
|
220.5±24.6 °C
|
|
Refractive_Index:
|
1.628
|
|
Density:
|
1.6±0.1 g/cm3
|
|
Molecular_Structure:
|
['1 . Molar refractive index 3820 ', '2 . Molar volume 1077 ', '3 . Parachor （902K）3256 ', '4 . Surface tension 835 ', '5 . Dielectric constant ', '6 偶极距（10-24cm3） ', '7 . Polarizability 1514']
|
|
Computational_Chemistry:
|
['1 . XlogP 02 ', '2 . Hydrogen Bond Donor Count 2 ', '3 . Hydrogen Bond Acceptor Count 5 ', '4 . Rotatable Bond Count 2 ', '5 . Isotope Atom Count ', '6 . TPSA 875 ', '7 . Heavy Atom Count 12 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 204 ', '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']
|
|
FW:
|
167.119
|
|
LogP:
|
-0.25
|
|
Vapor_Pressure:
|
0.0±1.1 mmHg at 25°C
|
