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Refractive_Index:
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n20/D 1.437(lit.)
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Flash_Point:
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226 °F
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LogP:
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3.50790
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Bolling_Point:
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130-131ºC28 mm Hg(lit.)
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PSA:
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20.23000
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Molecular_Structure:
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['1. Molar refractive index 545 ', '2. Molar volume 2079 ', '3. Parachor （902K）4838 ', '4. Surface tension 292 ', '5. Dielectric constant N/A ', '6. Polarizability 216 ', '7. Single isotope mass 172182715 Da ', '8. Nominal mass 172 Da ', '9. Average mass 1723077 Da']
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Computational_Chemistry:
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['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :8 ', '5. Isotope Atom Count :N/A ', '6. TPSA 202 ', '7. Heavy Atom Count :12 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :811 ', '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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41673ºC
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MF:
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C11H24O
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Exact_Mass:
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172.18300
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FW:
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172.30800
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Density:
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0.828 g/mL at 25ºC(lit.)
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More_Info:
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['1 . Appearance White 透明Liquid ', '2 . Density（g/mL,25℃）0828 ', '3 相对. Density（20℃，4℃）08269 ', '4 . Melting point（ºC）6 ', '5 . Boiling point（ºC,Atmospheric pressure）230 ', '6 . Boiling point（ºC，28mmHg）130-131 ', '7 . Refractive index(n20/D)1437 ', '8 . Flash point（ºC）107 ', '9 相对. Density（25℃，4℃）08233 ', '10 常温. Refractive index（n20）1439 ', '11 常温. Refractive index（n25）1435 ', '12 . Saturated vapor pressure（kPa,25ºC）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 Insoluble in Water ']
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