More_Info:
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['1 . Appearance Colourless Liquid 。 ', '2 . Density(g/mL,25/4℃) 081 ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)Unknow ', '5 . Boiling point(ºC,Atmospheric pressure)111-112 ', '6 . Boiling point(ºC,52kPa) Unknow ', '7 . Refractive index 14090 ', '8 . Flash point(ºC) 26 ', '9 . Specific rotation(º) Unknow ', '10 . Spontaneous ignition point or ignition temperature(ºC) Unknow ', '11 . Vapor pressure(kPa,25ºC) 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 Unknow']
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Computational_Chemistry:
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['1 . XlogP 13 ', '2 . Hydrogen Bond Donor Count 1 ', '3 . Hydrogen Bond Acceptor Count 1 ', '4 . Rotatable Bond Count 1 ', '5 . TPSA 202 ', '6 . Heavy Atom Count 6 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 329 ', '9 . Isotope Atom Count 0 ', '10 . Defined Atom Stereocenter Count 0 ', '11 . Undefined Atom Stereocenter Count 1 ', '12 . Defined Bond Stereocenter Count 0 ', '13 . Undefined Bond Stereocenter Count 0 ', '14 . Covalently-Bonded Unit Count 1']
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Molecular_Structure:
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['1 . Molar refractive index 2666 ', '2 . Molar volume (m3/mol)1093 ', '3 . Parachor (902K)2425 ', '4 . Surface tension : 242 ', '5 . Dielectric constant 无可用 ', '6 偶极距(10 -24cm 3)无可用 ', '7 . Polarizability 1057']
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