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Refractive_Index:
|
1.569
|
|
Vapor_Pressure:
|
4.11E-08mmHg at 25°C
|
|
Flash_Point:
|
170.6ºC
|
|
LogP:
|
1.83990
|
|
Bolling_Point:
|
428.7ºC at 760mmHg
|
|
PSA:
|
63.60000
|
|
Molecular_Structure:
|
['1 . Molar refractive index 不确定 2 . Molar volume （cm', '3/mol）不确定 3 . Parachor （902K）不确定 4 . Surface tension 不确定 5 . Polarizability 不确定']
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Computational_Chemistry:
|
['1. XlogP :09 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :2 ', '6. TPSA 636 ', '7. Heavy Atom Count :16 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :299 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :1 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
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|
Melting_Point:
|
139-144ºC(lit.)
|
|
MF:
|
C12H12O4
|
|
Exact_Mass:
|
220.07400
|
|
FW:
|
220.22100
|
|
Density:
|
1.286g/cm3
|
|
More_Info:
|
['1 . Appearance Solid ', '2 . Density（g/mL,25/4℃）不确定 3 . Relative vapor density（ g/mL, Atmosphere =1 ）不确定 4 . Melting point（ ºC ）139-144 ', '5 . Boiling point（ºC,Atmospheric pressure）不确定 ', '6 . Boiling point（ºC,52kPa）不确定 7 . Refractive index不确定 8 . Flash point（ ºC ）不确定 ', '9 . Specific rotation（º）不确定 10 . Spontaneous ignition point or ignition temperature（ ºC ）不确定 11 . Vapor pressure（ kPa,25ºC ）不确定 12 . Saturated vapor pressure（ kPa,60ºC ）不确定 13 . Combustion heat（ KJ/mol ）不确定 14 . Critical temperature（ ºC ）不确定 ', '15 . Critical pressure（KPa）不确定 ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient 不确定 17 . Upper limit of explosion（ %,V/V ）不确定 18 . Lower limit of explosion（ %,V/V ）不确定 ', '19 . Solubility 不确定']
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