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Molecular_Structure:
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['1. Molar refractive index N/A ', '2. Molar volume N/A ', '3. Parachor （902K）N/A ', '4. Surface tension N/A ', '5. Dielectric constant N/A ', '6. Polarizability N/A ', '7. Single isotope mass 313159727 Da ', '8. Nominal mass 313 Da ', '9. Average mass 3138643 Da']
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Flash_Point:
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187.7ºC
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FW:
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313.864
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Bolling_Point:
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399.6ºC at 760 mmHg
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Computational_Chemistry:
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['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :4 ', '5. Isotope Atom Count :N/A ', '6. TPSA 12 ', '7. Heavy Atom Count :22 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :339 ', '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 :2']
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LogP:
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5.40430
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Melting_Point:
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230-232ºC
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PSA:
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12.03000
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MF:
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C20H24ClN
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More_Info:
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['1 . Appearance White 粉末。 ', '2 . Density（g/mL,25/4℃） 无可用 ', '3 . Relative vapor density（g/mL,Atmosphere =1） 无可用 ', '4 . Melting point（ºC）230-232。 ', '5 . Boiling point（ºC,Atmospheric pressure） 无可用 ', '6 . Boiling point（ºC,52kPa） 无可用 ', '7 . Refractive index 无可用 ', '8 . Flash point（ºC） 无可用 ', '9 . Specific rotation（º） 无可用 ', '10 . Spontaneous ignition point or ignition temperature（ºC）无可用 ', '11 . Vapor pressure（kPa,25ºC）无可用 ', '12 . Saturated vapor pressure（kPa,60ºC）无可用 ', '13 . Combustion heat（KJ/mol）无可用 ', '14 . Critical temperature（ºC）无可用 ', '15 . Critical pressure（KPa）无可用 ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient 无可用 ', '17 . Upper limit of explosion（%,V/V）无可用 ', '18 . Lower limit of explosion（%,V/V）无可用 ', '19 . Solubility 能Soluble in Water 。']
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Vapor_Pressure:
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9.8E-08mmHg at 25°C
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Exact_Mass:
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313.159729
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