More_Info:
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['一物性数据 ', '1 . Appearance Colourless Liquid 。具有强烈的类似松树的清凉香气及辣味。 ', '2 . Density(g/mL,25/4℃)0991g/cm3 ', '3 . Relative vapor density(g/mL,Atmosphere =1)不确定 ', '4 . Melting point(ºC)277℃ ', '5 . Boiling point(ºC,Atmospheric pressure)225-226℃ ', '6 . Boiling point(ºC,52kPa)不确定 ', '7 . Refractive index14639 ', '8 . Flash point(ºC)不确定 ', '9 . Specific rotation(º)右旋[α]D+4438°,旋光度[α]D+412°;左旋α]D-4445°,旋光度[α]D-420° ', '10 . Spontaneous ignition point or ignition temperature(ºC)不确定 ', '11 . Vapor pressure(kPa,25ºC)不确定 ', '12 . Saturated vapor pressure(kPa,60ºC)不确定 ', '13 . Combustion heat(KJ/mol)不确定 ', '14 . Critical temperature(ºC)不确定 ', '15 . Critical pressure(KPa)不确定 ', '16 . Oil-water(Octanol /Water )Logarithmic Value of Distribution Coefficient 不确定 ', '17 . Upper limit of explosion(%,V/V)不确定 ', '18 . Lower limit of explosion(%,V/V)不确定 ', '19 . Solubility 微Soluble in Water ,Soluble in Ethanol , Ethyl ether 。']
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Computational_Chemistry:
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['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :N/A ', '6. TPSA 263 ', '7. Heavy Atom Count :14 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :270 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :3 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
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