More_Info:
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['1 . Appearance Colourless Liquid ,气味舒适 ', '2 . Density(g/mL,25℃)09693 ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)-21 ', '5 . Boiling point(ºC,Atmospheric pressure)199-200 ', '6 . Boiling point(ºC,16mmHg)Unknow ', '7 . Refractive index(n20/D)149475 ', '8 . Flash point(ºC)68 ', '9 . Specific rotation(º)Unknow ', '10 . Spontaneous ignition point or ignition temperature(ºC)Unknow ', '11 . Vapor pressure(psi,55ºC)Unknow ', '12 . Saturated vapor pressure(kPa,60ºC)Unknow ', '13 . Combustion heat(KJ/mol)Unknow ', '14 . Critical temperature(ºC)Unknow ', '15 . Critical pressure(KPa)Unknow ', '16 . Oil-water(Octanol /Water )Logarithmic Value of Distribution Coefficient Unknow ', '17 . Upper limit of explosion(%,V/V)Unknow ', '18 . Lower limit of explosion(%,V/V)Unknow ', '19 . Solubility Soluble in 苯,与Water 混溶。']
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Computational_Chemistry:
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['1. XlogP :08 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :8 ', '6. TPSA 171 ', '7. Heavy Atom Count :8 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :133 ', '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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Molecular_Structure:
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['1 . Molar refractive index 3210 ', '2 . Molar volume 1142 ', '3 . Parachor (902K)2697 ', '4 . Surface tension : 311 ', '5 . Dielectric constant 无可用 ', '6 偶极距(10-24cm3)无可用 ', '7 . Polarizability 1272']
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