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Bolling_Point:
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141 °C743 mm Hg(lit.)
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More_Info:
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['1 . Appearance Colourless 透明黏稠Liquid ，有樟脑气味。 ', '2 相对. Density（g/mL ,20/4℃）0838 ', '3 . Refractive index（n20ºC）1428 ', '4 . Flash point（ºC）40 ', '5 . Boiling point（ºC,1013kPa）152 ', '6 . Boiling point（ºC,592kPa）73 ', '7 . Solubility Soluble in Ethanol Ethyl ether ，Insoluble in Water 。 ', '8 相对. Density（25℃，4℃）0834 ', '9 常温. Refractive index（n25）1426']
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LogP:
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1.94750
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Density:
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0.824 g/mL at 25 °C(lit.)
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Computational_Chemistry:
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['1. XlogP :21 ', '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 :471 ', '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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-12.5 °C
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Exact_Mass:
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116.12000
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MF:
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C7H16O
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Refractive_Index:
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n20/D 1.430(lit.)
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PSA:
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20.23000
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Flash_Point:
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104 °F
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Molecular_Structure:
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['1 . Molar refractive index 3597 ', '2 . Molar volume 1416 ', '3 . Parachor （902K）3224 ', '4 . Surface tension 268 ', '5 . Polarizability 1426']
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FW:
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116.20100
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