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MF:
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C30H58O4S
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Bolling_Point:
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580.8±35.0 °C at 760 mmHg
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Exact_Mass:
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514.405579
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More_Info:
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['1 . Appearance White 絮状or 片状结晶Solid 。 ', '2 相对. Density（g/mL,25/4℃）0965 ', '3 . Relative vapor density（g/mL,Atmosphere =1）不确定 ', '4 . Melting point（ºC）38～40 ', '5 . Boiling point（ºC,Atmospheric pressure）不确定 ', '6 . Boiling point（ºC,52kPa）不确定 ', '7 . Refractive index不确定 ', '8 . Flash point（ºC）不确定 ', '9 . Specific rotation（º）不确定 ', '10 . Spontaneous ignition point or ignition temperature（ºC）不确定 ', '11 . Vapor pressure（kPa,25ºC）02 mm Hg ( 163 °C) ', '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 Soluble in 甲醇丙酮四氯化碳and 苯，Insoluble in Water 。']
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Melting_Point:
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40-42 °C(lit.)
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PSA:
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77.90000
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Flash_Point:
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264.8±14.0 °C
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Refractive_Index:
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1.472
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Density:
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0.9±0.1 g/cm3
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Molecular_Structure:
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['1 . Molar refractive index 15258 ', '2 . Molar volume 5446 ', '3 . Parachor （902K）13258 ', '4 . Surface tension 351 ', '5 . Dielectric constant （F/m） ', '6 偶极距（D） ', '7 . Polarizability 6048']
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Computational_Chemistry:
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['1. XlogP :117 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :5 ', '4. Rotatable Bond Count :30 ', '5. Isotope Atom Count :N/A ', '6. TPSA 779 ', '7. Heavy Atom Count :35 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :416 ', '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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FW:
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514.844
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LogP:
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12.88
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Vapor_Pressure:
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0.0±1.6 mmHg at 25°C
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