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Molecular_Structure:
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['分子性质数据 ', '1 . Molar refractive index 3566 ', '2 . Molar volume （m3/mol）1008 ', '3 . Parachor （902K）3260 ', '4 . Surface tension 1093 ', '5 . Dielectric constant ', '6 偶极距（10 -24cm 3） ', '7 . Polarizability 1413']
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Flash_Point:
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201.5±14.7 °C
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Refractive_Index:
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1.625
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FW:
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178.140
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Density:
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1.8±0.1 g/cm3
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Bolling_Point:
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467.9±18.0 °C at 760 mmHg
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Computational_Chemistry:
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['1. XlogP :-2 ', '2. Hydrogen Bond Donor Count :4 ', '3. Hydrogen Bond Acceptor Count :6 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :6 ', '6. TPSA 107 ', '7. Heavy Atom Count :12 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :181 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :4 ', '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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LogP:
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-3.15
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Melting_Point:
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153-155ºC
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PSA:
|
107.22000
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MF:
|
C6H10O6
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More_Info:
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['1 . Appearance Solid ', '2 . Density（g/mL,25℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）153-155 ', '5 . Boiling point（ºC,13hPa）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（mmHg,78ºC）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 (g/l,at 20 ºCUnknow']
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Vapor_Pressure:
|
0.0±2.6 mmHg at 25°C
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Exact_Mass:
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178.047745
|
