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Molecular_Structure:
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['1 . Molar refractive index 4860 ', '2 . Molar volume 1664 ', '3 . Parachor （902K）4080 ', '4 . Surface tension 361 ', '5 . Polarizability 1926']
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LogP:
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1.62850
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Flash_Point:
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141ºC
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Refractive_Index:
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1.495
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FW:
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180.20000
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Density:
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1.11 g/cm3
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Bolling_Point:
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243.6ºC at 760 mmHg
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Computational_Chemistry:
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['1. XlogP :18 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :5 ', '5. Isotope Atom Count :N/A ', '6. TPSA 355 ', '7. Heavy Atom Count :13 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :150 ', '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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PSA:
|
35.53000
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MF:
|
C10H12O3
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More_Info:
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['1 . Appearance Colourless Liquid ', '2 . Density（g/mL,20/20℃）11084 ', '3 . Melting point（ºC）-27 ', '4 . Boiling point（ºC,Atmospheric pressure）2597 ', '5 . Refractive index（20ºC）15076 ', '6 黏度（mPa·s,20ºC）94 ', '7 . Flash point（ºC,开口）143 ', '8 蒸发热（KJ/mol）582 ', '9 . Vapor pressure（kPa,20ºC）<000133 ', '10 . Vapor pressure（kPa,131ºC）133 ', '11 . Vapor pressure（kPa,168ºC）667 ', '12 . Solubility 醇醚中可溶。']
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Exact_Mass:
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180.07900
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