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Bolling_Point:
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112-115 °C0.5 mm Hg(lit.)
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LogP:
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3.95420
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More_Info:
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['1 . Appearance 略带Yellow 油状Liquid 。 ', '2 . Density123 ', '3 . Relative vapor density（g/mL,Atmosphere =1）不确定 ', '4 . Melting point（ºC）10-11 ', '5 . Boiling point（ºC,Atmospheric pressure）115 ', '6 . Boiling point（ºC,27mmHg）不确定 ', '7 . Refractive index1585-1589 ', '8 . Flash point（ºC）＞ 110 ', '9 . Specific rotation（º）不确定 ', '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 易Soluble in Ethanol Ethyl ether 氯仿等有机溶剂。']
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Computational_Chemistry:
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['1. XlogP :21 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :5 ', '5. Isotope Atom Count :N/A ', '6. TPSA 769 ', '7. Heavy Atom Count :14 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :148 ', '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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Melting_Point:
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10-11 °C(lit.)
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Exact_Mass:
|
226.01200
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MF:
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C10H10O2S2
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Density:
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1.233 g/mL at 25 °C(lit.)
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Refractive_Index:
|
n20/D 1.585(lit.)
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PSA:
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76.88000
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Flash_Point:
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>230 °F
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Molecular_Structure:
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['1 . Molar refractive index 6088 ', '2 . Molar volume 1764 ', '3 . Parachor （902K）4652 ', '4 . Surface tension 483 ', '5 . Polarizability 2413']
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FW:
|
226.31500
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