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Refractive_Index:
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n20/D 1.421(lit.)
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Flash_Point:
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105 °F
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LogP:
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1.80340
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Bolling_Point:
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141-143 °C765 mm Hg(lit.)
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FW:
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116.20100
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PSA:
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20.23000
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Computational_Chemistry:
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['1. XlogP :22 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :N/A ', '6. TPSA 202 ', '7. Heavy Atom Count :8 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :503 ', '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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MF:
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C7H16O
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Exact_Mass:
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116.12000
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Molecular_Structure:
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['1 . Molar refractive index 3593 ', '2 . Molar volume 1423 ', '3 . Parachor （902K）3221 ', '4 . Surface tension 262 ', '5 . Polarizability 1424']
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Density:
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0.821 g/mL at 25 °C(lit.)
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More_Info:
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['1 . Appearance Colourless Liquid ', '2 . Boiling point（ºC,1013kPa）141~143(102kpa) ', '3 相对. Density（g/mL,25/4ºC）0821 ', '4 . Refractive index（n20ºC）14215 ', '5 . Flash point（ºC）40 ', '6 . Solubility 能与 Ethanol Ethyl ether 苯相混溶，Insoluble in Water 。']
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