More_Info:
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['1 . Appearance Colourless Liquid 。 ', '2 . Density(g/mL,25℃)1258 ', '3 相对. Density(20℃,4℃)12585 ', '4 相对. Density(25℃,4℃)12527 ', '5 . Boiling point(ºC,Atmospheric pressure)128 ', '6 . Boiling point(ºC,765mmHg)126-127 ', '7 . Refractive index(n 20/D) 14640 ', '8 . Flash point(ºC)30 ', '9 常温. Refractive index(n25)14618 ', '10 . Spontaneous ignition point or ignition temperature(ºC)Unknow ', '11 . Vapor pressure(mmHg,20ºC)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 不能拌and 的or 难以拌and 的']
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Molecular_Structure:
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['1 . Molar refractive index 3267 ', '2 . Molar volume 1193 ', '3 . Parachor (902K)2722 ', '4 . Surface tension 270 ', '5 . Dielectric constant 无可用 ', '6 偶极距(10-24cm3)无可用 ', '7 . Polarizability 1295']
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Computational_Chemistry:
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['1. XlogP :24 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :0 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :N/A ', '6. TPSA 0 ', '7. Heavy Atom Count :6 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :329 ', '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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