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Refractive_Index:
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n20/D 1.45(lit.)
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Flash_Point:
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25 °F
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LogP:
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2.50670
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Bolling_Point:
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110-111 °C(lit.)
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More_Info:
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['1 . Appearance Colourless Liquid ', '2 . Boiling point（ºC,Atmospheric pressure）110～111 ', '3 . Melting point（ºC）-121 ', '4 相对. Density（g/mL,20/4ºC）0809 ', '5 . Refractive index（20ºC）14502 ', '6 . Flash point（ºC）-1 ', '7 . Solubility 能与 Ethanol Ethyl ether 相混溶，Insoluble in Water 。']
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Molecular_Structure:
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['1 . Molar refractive index 3197 ', '2 . Molar volume 1177 ', '3 . Parachor （902K）2646 ', '4 . Surface tension 255 ', '5 . Polarizability 1267']
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Computational_Chemistry:
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['1. XlogP :24 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :0 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :N/A ', '6. TPSA 0 ', '7. Heavy Atom Count :7 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :80 ', '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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Melting_Point:
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0ºC
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MF:
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C7H12
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Exact_Mass:
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96.09390
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FW:
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96.17020
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Density:
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0.811 g/mL at 20 °C(lit.)
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