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MF:
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C7H14O
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Bolling_Point:
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125-130 °C(lit.)
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Exact_Mass:
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114.10400
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More_Info:
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['一物性数据 ', '1 . Appearance Colourless Liquid ', '2 . Density（g/mL ,25/4℃）08000 ', '3 . Flash point（℃）18 ', '4 . Boiling point（ºC,760mmHg）125-130 ', '5 . Boiling point（ºC）125 ', '6 相对. Density（20℃，4℃）08044 ', '7 常温. Refractive index（n20）14036 ', '8 常温. Refractive index（n25）14014 ', '9 液相标准. Combustion heat(焓)(kJ·mol-1)-443492 ', '10液相标准声称热(焓)( kJ·mol-1)-32049']
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PSA:
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17.07000
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Flash_Point:
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66 °F
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Computational_Chemistry:
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['1. XlogP :16 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :3 ', '6. TPSA 171 ', '7. Heavy Atom Count :8 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :871 ', '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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Density:
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0.809 g/mL at 25 °C(lit.)
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Molecular_Structure:
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['五分子性质数据 ', '1 . Molar refractive index 3447 ', '2 . Molar volume 1412 ', '3 . Parachor （902K）3108 ', '4 . Surface tension 234 ', '5 . Polarizability 1366']
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FW:
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114.18500
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LogP:
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2.01160
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Refractive_Index:
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n20/D 1.404(lit.)
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