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Refractive_Index:
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n20/D 1.460(lit.)
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Vapor_Pressure:
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0.0015mmHg at 25°C
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Flash_Point:
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>230 °F
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LogP:
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3.44260
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Bolling_Point:
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140-141 °C1 mm Hg(lit.)
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FW:
|
198.30200
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PSA:
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26.30000
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Computational_Chemistry:
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['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :5 ', '5. Isotope Atom Count :2 ', '6. TPSA 263 ', '7. Heavy Atom Count :14 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :166 ', '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:
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−12 °C(lit.)
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MF:
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C12H22O2
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Exact_Mass:
|
198.16200
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Molecular_Structure:
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['1 . Molar refractive index 5728 ', '2 . Molar volume （m3/mol）2141 ', '3 . Parachor （902K）5045 ', '4 . Surface tension 308 ', '5 . Polarizability 2270']
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Density:
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0.942 g/mL at 25 °C(lit.)
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More_Info:
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['1. Appearance Unknow ', '2. Density（g/mL,25/4℃）0942g/mLat 25°C(lit)3. Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4. Melting point（ºC）−12°C(lit)5. Boiling point（ºC,Atmospheric pressure）140-141°C1mm Hg(lit)6. Boiling point（ºC,52kPa）Unknow ', '7. Refractive index0942g/mLat 25°C(lit) ', '8. Flash point（ºC）>230°F9. 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 Unknow']
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