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Molecular_Structure:
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['1. Molar refractive index 6126 ', '2. Molar volume 2021 ', '3. Parachor （902K）5056 ', '4. Surface tension 391 ', '5. Dielectric constant N/A ', '6. Polarizability 2428 ', '7. Single isotope mass 219089543 Da ', '8. Nominal mass 219 Da ', '9. Average mass 2192365 Da']
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|
LogP:
|
2.61080
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|
Flash_Point:
|
133ºC
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|
Refractive_Index:
|
n20/D 1.526(lit.)
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|
FW:
|
219.23700
|
|
Density:
|
1.105
|
|
Bolling_Point:
|
312.6ºC at 760mmHg
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|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :6 ', '5. Isotope Atom Count :N/A ', '6. TPSA 557 ', '7. Heavy Atom Count :16 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :263 ', '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']
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|
PSA:
|
55.73000
|
|
MF:
|
C12H13NO3
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|
More_Info:
|
['1 . Appearance Colourless 刺激Liquid ', '2 . Density（g/mL,25℃）1105 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）295 ', '6 . Boiling point（ºC，3mmHg）Unknow ', '7 . Refractive index(n20/D)1526 ', '8 . Flash point（ºC）113 ', '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,25ºC）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 可Water 解的']
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|
Vapor_Pressure:
|
0.000524mmHg at 25°C
|
|
Exact_Mass:
|
219.09000
|
