MF:
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C12H22O11
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Bolling_Point:
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667.9ºC at 760 mmHg
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Exact_Mass:
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342.11600
|
More_Info:
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['1. Appearance White 的结晶性颗粒or 粉末 ', '2. Density(g/mL,25/4℃)Unknow ', '3相对. Density(20℃,4℃)159 ', '4. Melting point(ºC)Unknow ', '5. Boiling point(ºC,Atmospheric pressure)2295 ', '6. Boiling point(ºC,52kPa)Unknow ', '7. Refractive index525 ° (C=10, H2O) ', '8 . Flash point(ºC)Unknow ', '9 . Specific rotation(º))+520to +526 ', '10晶相相标准. Combustion heat(焓)(kJ·mol-1)-56295 ', '11晶相标准声称热(焓)( kJ·mol-1)-22367 ', '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 Water 中易溶,在 Ethanol 氯仿or Ethyl ether 中不溶。']
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Melting_Point:
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201-202ºC
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PSA:
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189.53000
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Flash_Point:
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357.8ºC
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Density:
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1.76 g/cm3
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Molecular_Structure:
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['1. Molar refractive index 708 ', '2. Molar volume 1936 ', '3. Parachor (902K)6283 ', '4. Surface tension 1108 ', '5. Dielectric constant N/A ', '6. Polarizability 2806 ', '7. Single isotope mass 342116212 Da ', '8. Nominal mass 342 Da ', '9. Average mass 3422965 Da']
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FW:
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342.29600
|
Computational_Chemistry:
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['1. XlogP :-47 ', '2. Hydrogen Bond Donor Count :8 ', '3. Hydrogen Bond Acceptor Count :11 ', '4. Rotatable Bond Count :4 ', '5. Isotope Atom Count :N/A ', '6. TPSA 190 ', '7. Heavy Atom Count :23 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :382 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :10 ', '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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Vapor_Pressure:
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1.08E-20mmHg at 25°C
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