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Computational_Chemistry:
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['1. XlogP :04 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :2 ', '6. TPSA 434 ', '7. Heavy Atom Count :8 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :106 ', '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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Flash_Point:
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45.6±0.0 °C
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More_Info:
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['物性数据 1 . Appearance Colourless Liquid ', '2 . Melting point-50℃ ', '3 . Boiling point155℃，1475℃（100kPa），69-71℃（57kPa），485℃（067kPa） ', '4 相对. Density10596（155/4℃） ', '5 常温. Refractive index（n20）14052 ', '6 . Flash point45℃ ', '7 . Solubility Soluble in Ethanol Ethyl ether 丙酮，微Soluble in Water ', '8相对. Density（20℃，4℃）10596156']
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PSA:
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43.37000
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Vapor_Pressure:
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3.1±0.2 mmHg at 25°C
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Density:
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1.0±0.1 g/cm3
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Refractive_Index:
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1.399
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FW:
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116.115
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LogP:
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0.05
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Bolling_Point:
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155.0±0.0 °C at 760 mmHg
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Exact_Mass:
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116.047340
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MF:
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C5H8O3
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Melting_Point:
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-58 °C
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Molecular_Structure:
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['五分子性质数据 ', '1 . Molar refractive index 2701 ', '2 . Molar volume 1116 ', '3 . Parachor （902K）2608 ', '4 . Surface tension 297 ', '5 . Polarizability 1071']
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