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MF:
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C6H12O
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|
Bolling_Point:
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110.7±9.0 °C at 760 mmHg
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Exact_Mass:
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100.088814
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More_Info:
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['1 . Appearance 浅Yellow Liquid ', '2 . Density（g/mLat 25°C）0798 ', '3 相对. Density（20℃，4℃）0812 ', '4 相对. Density（25℃，4℃）0808 ', '5 . Boiling point（ºC,Atmospheric pressure）104 ', '6 常温. Refractive index（n25）1401 ', '7 . Refractive index（n20/D）1403 ', '8 . Flash point（ºC）13 ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（hPa,211ºC）Unknow ', '12 . Saturated vapor pressure（kPa,1144 ºC）Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（MPa）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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PSA:
|
17.07000
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Flash_Point:
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10.6±0.0 °C
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|
Refractive_Index:
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1.396
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Density:
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0.8±0.1 g/cm3
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Molecular_Structure:
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['1 . Molar refractive index 2999 ', '2 . Molar volume 1249 ', '3 . Parachor （902K）2748 ', '4 . Surface tension 234 ', '5 . Dielectric constant （F/m）无可用 ', '6 偶极距（D）无可用 ', '7 . Polarizability 1189']
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Computational_Chemistry:
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['1. XlogP :14 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :2 ', '6. TPSA 171 ', '7. Heavy Atom Count :7 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :591 ', '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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FW:
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100.159
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LogP:
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1.60
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Vapor_Pressure:
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23.4±0.2 mmHg at 25°C
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