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Refractive_Index:
|
1.726
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|
Vapor_Pressure:
|
0.0±1.0 mmHg at 25°C
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Flash_Point:
|
207.6±21.2 °C
|
|
LogP:
|
1.99
|
|
Bolling_Point:
|
419.6±18.0 °C at 760 mmHg
|
|
PSA:
|
53.09000
|
|
Molecular_Structure:
|
['1 . Molar refractive index 4545 ', '2 . Molar volume （m3/mol）1144 ', '3 . Parachor （902K）3328 ', '4 . Surface tension 716 ', '5 . Dielectric constant ', '6 偶极距（10 -24cm 3） ', '7 . Polarizability 1802']
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|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :3 ', '6. TPSA 531 ', '7. Heavy Atom Count :12 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :193 ', '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:
|
232-234 °C (dec.)(lit.)
|
|
MF:
|
C9H7NO2
|
|
Exact_Mass:
|
161.047684
|
|
FW:
|
161.157
|
|
Density:
|
1.4±0.1 g/cm3
|
|
More_Info:
|
['1 . Appearance 结晶性粉末（由醋酸酯-石油醚重结晶）。 ', '2 . Density（g/mL,25/4℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）232-234°C ', '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）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 能Soluble in Ethanol Ethyl ether 醋酸酯，难Soluble in 沸Water 苯，Insoluble in 石油醚。']
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